[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol

C18H22O2 — CID 172652316

IUPAC[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
SMILESCOc1cc(-c2ccc(CC(C)C)cc2)ccc1CO
InChIInChI=1S/C18H22O2/c1-13(2)10-14-4-6-15(7-5-14)16-8-9-17(12-19)18(11-16)20-3/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeySOPXFXWCZQTVIP-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.05
Rot. Bonds5

About [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol

[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol (PubChem CID 172652316) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
PubChem CID172652316
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
SMILESCOc1cc(-c2ccc(CC(C)C)cc2)ccc1CO
InChIInChI=1S/C18H22O2/c1-13(2)10-14-4-6-15(7-5-14)16-8-9-17(12-19)18(11-16)20-3/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeySOPXFXWCZQTVIP-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-4-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652299
[4-methoxy-2-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652180
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methoxyphenyl] cyanate
CID 155326331
[2-methoxy-4-(6-methyl-3-pyridinyl)phenyl]methanol
CID 172651536
2-[2-methoxy-4-(2-methylpropyl)phenyl]acetonitrile
CID 54516875
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
methyl 2-methoxy-3-[2-methoxy-4-[3-[4-[4-(2-methylpropyl)phenyl]phenoxy]propoxy]phenyl]propanoate
CID 91458204

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol?
The IUPAC name of [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol (CID 172652316) is [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol?
The canonical SMILES for [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol is COc1cc(-c2ccc(CC(C)C)cc2)ccc1CO.
What is the InChIKey of [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol?
The InChIKey is SOPXFXWCZQTVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(2)10-14-4-6-15(7-5-14)16-8-9-17(12-19)18(11-16)20-3/h4-9,11,13,19H,10,12H2,1-3H3.
What are the key properties of [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol?
[2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol has a molecular weight of 270.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[4-(2-methylpropyl)phenyl]phenyl]methanol is sourced from PubChem (CID 172652316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).