4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol

C81H90O9 — CID 161100270

IUPAC4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
SMILESC=C(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)cc3)ccc2O1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(O)ccc21.CC1(C)CC(C)(c2ccc(O)cc2)c2ccccc2O1
InChIInChI=1S/C27H30O3.3C18H20O2/c1-25(2)17-27(5,19-8-13-22(29)14-9-19)23-16-20(10-15-24(23)30-25)26(3,4)18-6-11-21(28)12-7-18;1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17;1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h6-16,28-29H,17H2,1-5H3;4-10,19-20H,11H2,1-3H3;4-11,19H,12H2,1-3H3;4-11,19-20H,1,12H2,2-3H3
InChIKeyUIIDYHCTLFTXTC-UHFFFAOYSA-N
MW1207.60 g/mol
LogP19.11
Rot. Bonds9

About 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol

4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol (PubChem CID 161100270) has the molecular formula C81H90O9 and a molecular weight of 1207.60 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
PubChem CID161100270
Molecular FormulaC81H90O9
Molecular Weight1207.60 g/mol
Exact Mass1206.66
IUPAC Name4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
SMILESC=C(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)cc3)ccc2O1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(O)ccc21.CC1(C)CC(C)(c2ccc(O)cc2)c2ccccc2O1
InChIInChI=1S/C27H30O3.3C18H20O2/c1-25(2)17-27(5,19-8-13-22(29)14-9-19)23-16-20(10-15-24(23)30-25)26(3,4)18-6-11-21(28)12-7-18;1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17;1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h6-16,28-29H,17H2,1-5H3;4-10,19-20H,11H2,1-3H3;4-11,19H,12H2,1-3H3;4-11,19-20H,1,12H2,2-3H3
InChIKeyUIIDYHCTLFTXTC-UHFFFAOYSA-N
XLogP19.11
TPSA160.07 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.60
LogP ≤ 519.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol with MolForge

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Related Compounds

4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol
CID 145273415
4-(2,2,4-trimethyl-3H-chromen-4-yl)benzene-1,3-diol
CID 123357468
4-[(4R)-2,2,4,6-tetramethyl-3H-chromen-4-yl]phenol
CID 139203808
1,1,3-trimethyl-3-(4-methylphenyl)-2H-inden-5-ol
CID 59962334
4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
CID 1202572
4-[2-(3-hydroxyphenyl)propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol;5-[2-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol;3-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,3-trimethyl-2H-inden-5-ol;3-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,3-trimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol;3-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,3-trimethyl-6-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2H-inden-5-ol
CID 158126552
CID 159190476
CID 159190476
4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
CID 23369068
1-(4-methoxyphenyl)-1,3,3-trimethyl-2H-inden-5-ol
CID 142243705
3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)-4-hydroxyphenyl]sulfanylphenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol
CID 158669372
(3S)-3-(4-carboxylatophenyl)-1,1,3-trimethyl-2H-indene-5-carboxylate
CID 7358912
1,1,3-trimethyl-3-(4-sulfanylphenyl)-2H-indene-5-thiol
CID 20706896

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol?
The IUPAC name of 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol (CID 161100270) is 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol is C=C(CC(C)(C)c1ccc(O)cc1)c1ccc(O)cc1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(C(C)(C)c3ccc(O)cc3)ccc2O1.CC1(C)CC(C)(c2ccc(O)cc2)c2cc(O)ccc21.CC1(C)CC(C)(c2ccc(O)cc2)c2ccccc2O1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol?
The InChIKey is UIIDYHCTLFTXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3.3C18H20O2/c1-25(2)17-27(5,19-8-13-22(29)14-9-19)23-16-20(10-15-24(23)30-25)26(3,4)18-6-11-21(28)12-7-18;1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17;1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17;1-13(14-4-8-16(19)9-5-14)12-18(2,3)15-6-10-17(20)11-7-15/h6-16,28-29H,17H2,1-5H3;4-10,19-20H,11H2,1-3H3;4-11,19H,12H2,1-3H3;4-11,19-20H,1,12H2,2-3H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol?
4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol has a molecular weight of 1207.60 g/mol, XLogP of 19.11, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)-4-methylpent-1-en-2-yl]phenol;4-[6-[2-(4-hydroxyphenyl)propan-2-yl]-2,2,4-trimethyl-3H-chromen-4-yl]phenol;3-(4-hydroxyphenyl)-1,1,3-trimethyl-2H-inden-5-ol;4-(2,2,4-trimethyl-3H-chromen-4-yl)phenol is sourced from PubChem (CID 161100270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).