4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C75H80O10 — CID 158530315

IUPAC4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O2.C16H18O2.C15H16O2.C14H14O2.C13H12O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h5-10,18-19H,1-4H3;4-11,17-18H,3H2,1-2H3;3-10,16-17H,1-2H3;2-10,15-16H,1H3;1-8,14-15H,9H2
InChIKeyHNHBLECFWUIQOJ-UHFFFAOYSA-N
MW1141.45 g/mol
LogP17.22
Rot. Bonds11

About 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 158530315) has the molecular formula C75H80O10 and a molecular weight of 1141.45 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID158530315
Molecular FormulaC75H80O10
Molecular Weight1141.45 g/mol
Exact Mass1140.58
IUPAC Name4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O2.C16H18O2.C15H16O2.C14H14O2.C13H12O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h5-10,18-19H,1-4H3;4-11,17-18H,3H2,1-2H3;3-10,16-17H,1-2H3;2-10,15-16H,1H3;1-8,14-15H,9H2
InChIKeyHNHBLECFWUIQOJ-UHFFFAOYSA-N
XLogP17.22
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.45
LogP ≤ 517.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 158530315) is 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.Oc1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is HNHBLECFWUIQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C16H18O2.C15H16O2.C14H14O2.C13H12O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h5-10,18-19H,1-4H3;4-11,17-18H,3H2,1-2H3;3-10,16-17H,1-2H3;2-10,15-16H,1H3;1-8,14-15H,9H2.
What are the key properties of 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 1141.45 g/mol, XLogP of 17.22, 11 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-(4-hydroxyphenyl)butan-2-yl]phenol;4-[1-(4-hydroxyphenyl)ethyl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 158530315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).