1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol

C18H22O3 — CID 58480145

IUPAC1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccc(CO)cc2)C(C)C)cc1
InChIInChI=1S/C18H22O3/c1-13(2)18(20,15-6-4-14(12-19)5-7-15)16-8-10-17(21-3)11-9-16/h4-11,13,19-20H,12H2,1-3H3
InChIKeyQYWHLNUZJSTWIC-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.08
Rot. Bonds5

About 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol

1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 58480145) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID58480145
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccc(CO)cc2)C(C)C)cc1
InChIInChI=1S/C18H22O3/c1-13(2)18(20,15-6-4-14(12-19)5-7-15)16-8-10-17(21-3)11-9-16/h4-11,13,19-20H,12H2,1-3H3
InChIKeyQYWHLNUZJSTWIC-UHFFFAOYSA-N
XLogP3.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
CID 134068015
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol
CID 58480144
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
[[[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)methyl]-propan-2-ylamino]phosphonous acid
CID 118941466
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 7540141

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol (CID 58480145) is 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc(C(O)(c2ccc(CO)cc2)C(C)C)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is QYWHLNUZJSTWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-13(2)18(20,15-6-4-14(12-19)5-7-15)16-8-10-17(21-3)11-9-16/h4-11,13,19-20H,12H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol?
1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 58480145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).