[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol

C30H30O4 — CID 164621074

IUPAC[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol
SMILESCOc1cc(-c2cccc(-c3cccc(-c4ccc(CO)c(OC)c4)c3C)c2C)ccc1CO
InChIInChI=1S/C30H30O4/c1-19-25(21-11-13-23(17-31)29(15-21)33-3)7-5-9-27(19)28-10-6-8-26(20(28)2)22-12-14-24(18-32)30(16-22)34-4/h5-16,31-32H,17-18H2,1-4H3
InChIKeyAOOVNTFCQAITBD-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.31
Rot. Bonds7

About [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol

[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol (PubChem CID 164621074) has the molecular formula C30H30O4 and a molecular weight of 454.57 g/mol. Its IUPAC name is [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol
PubChem CID164621074
Molecular FormulaC30H30O4
Molecular Weight454.57 g/mol
Exact Mass454.21
IUPAC Name[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol
SMILESCOc1cc(-c2cccc(-c3cccc(-c4ccc(CO)c(OC)c4)c3C)c2C)ccc1CO
InChIInChI=1S/C30H30O4/c1-19-25(21-11-13-23(17-31)29(15-21)33-3)7-5-9-27(19)28-10-6-8-26(20(28)2)22-12-14-24(18-32)30(16-22)34-4/h5-16,31-32H,17-18H2,1-4H3
InChIKeyAOOVNTFCQAITBD-UHFFFAOYSA-N
XLogP6.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol?
The IUPAC name of [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol (CID 164621074) is [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol?
The canonical SMILES for [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol is COc1cc(-c2cccc(-c3cccc(-c4ccc(CO)c(OC)c4)c3C)c2C)ccc1CO.
What is the InChIKey of [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol?
The InChIKey is AOOVNTFCQAITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O4/c1-19-25(21-11-13-23(17-31)29(15-21)33-3)7-5-9-27(19)28-10-6-8-26(20(28)2)22-12-14-24(18-32)30(16-22)34-4/h5-16,31-32H,17-18H2,1-4H3.
What are the key properties of [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol?
[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol has a molecular weight of 454.57 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 164621074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).