4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol

C29H28O3 — CID 91269009

IUPAC4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol
SMILESCc1cc(C(C)c2ccc(O)cc2)ccc1C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C29H28O3/c1-19-18-22(20(2)21-4-11-25(30)12-5-21)6-17-28(19)29(3,23-7-13-26(31)14-8-23)24-9-15-27(32)16-10-24/h4-18,20,30-32H,1-3H3
InChIKeyLQYWQPBZONUOBX-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.62
Rot. Bonds5

About 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol

4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol (PubChem CID 91269009) has the molecular formula C29H28O3 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol
PubChem CID91269009
Molecular FormulaC29H28O3
Molecular Weight424.54 g/mol
Exact Mass424.20
IUPAC Name4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol
SMILESCc1cc(C(C)c2ccc(O)cc2)ccc1C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C29H28O3/c1-19-18-22(20(2)21-4-11-25(30)12-5-21)6-17-28(19)29(3,23-7-13-26(31)14-8-23)24-9-15-27(32)16-10-24/h4-18,20,30-32H,1-3H3
InChIKeyLQYWQPBZONUOBX-UHFFFAOYSA-N
XLogP6.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol?
The IUPAC name of 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol (CID 91269009) is 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol.
What is the SMILES notation for 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol?
The canonical SMILES for 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol is Cc1cc(C(C)c2ccc(O)cc2)ccc1C(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol?
The InChIKey is LQYWQPBZONUOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O3/c1-19-18-22(20(2)21-4-11-25(30)12-5-21)6-17-28(19)29(3,23-7-13-26(31)14-8-23)24-9-15-27(32)16-10-24/h4-18,20,30-32H,1-3H3.
What are the key properties of 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol?
4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol has a molecular weight of 424.54 g/mol, XLogP of 6.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol is sourced from PubChem (CID 91269009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).