4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol

C27H24O2 — CID 154133562

IUPAC4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol
SMILESCc1cccc(-c2ccc(O)cc2)c1Cc1c(C)cccc1-c1ccc(O)cc1
InChIInChI=1S/C27H24O2/c1-18-5-3-7-24(20-9-13-22(28)14-10-20)26(18)17-27-19(2)6-4-8-25(27)21-11-15-23(29)16-12-21/h3-16,28-29H,17H2,1-2H3
InChIKeyIQCBEZIQCFVRMP-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.64
Rot. Bonds4

About 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol

4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol (PubChem CID 154133562) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol
PubChem CID154133562
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol
SMILESCc1cccc(-c2ccc(O)cc2)c1Cc1c(C)cccc1-c1ccc(O)cc1
InChIInChI=1S/C27H24O2/c1-18-5-3-7-24(20-9-13-22(28)14-10-20)26(18)17-27-19(2)6-4-8-25(27)21-11-15-23(29)16-12-21/h3-16,28-29H,17H2,1-2H3
InChIKeyIQCBEZIQCFVRMP-UHFFFAOYSA-N
XLogP6.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-3-methylphenol
CID 10997099
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
4-(2,3,4-triethylphenyl)phenol
CID 101302516
2-[2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]propan-2-yl]phenol
CID 67659953
4-(4-methylquinolin-8-yl)phenol
CID 70813366
ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol
CID 174803468
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
2,3-bis(4-methylphenyl)phenol
CID 175749747
2-methyl-6-phenylphenol
CID 12592481
1-[2-hydroxy-6-(4-methylphenyl)phenyl]propan-2-one
CID 175319649
4-(3-methylchromenylium-2-yl)phenol
CID 12069878

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol?
The IUPAC name of 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol (CID 154133562) is 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol.
What is the SMILES notation for 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol?
The canonical SMILES for 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol is Cc1cccc(-c2ccc(O)cc2)c1Cc1c(C)cccc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol?
The InChIKey is IQCBEZIQCFVRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c1-18-5-3-7-24(20-9-13-22(28)14-10-20)26(18)17-27-19(2)6-4-8-25(27)21-11-15-23(29)16-12-21/h3-16,28-29H,17H2,1-2H3.
What are the key properties of 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol?
4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol has a molecular weight of 380.49 g/mol, XLogP of 6.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol is sourced from PubChem (CID 154133562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).