1-(3-methoxyphenyl)butan-1-ol

C11H16O2 — CID 2793894

IUPAC1-(3-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cccc(OC)c1
InChIInChI=1S/C11H16O2/c1-3-5-11(12)9-6-4-7-10(8-9)13-2/h4,6-8,11-12H,3,5H2,1-2H3
InChIKeyVRLWWGJERFQPOY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-methoxyphenyl)butan-1-ol

1-(3-methoxyphenyl)butan-1-ol (PubChem CID 2793894) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)butan-1-ol
PubChem CID2793894
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(3-methoxyphenyl)butan-1-ol
SMILESCCCC(O)c1cccc(OC)c1
InChIInChI=1S/C11H16O2/c1-3-5-11(12)9-6-4-7-10(8-9)13-2/h4,6-8,11-12H,3,5H2,1-2H3
InChIKeyVRLWWGJERFQPOY-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
CID 69097467
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
3-[[3-[(1R)-1-hydroxybutyl]phenoxy]methyl]pentan-3-ol
CID 69097533
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol
CID 69097318
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)butan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)butan-1-ol (CID 2793894) is 1-(3-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)butan-1-ol is CCCC(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)butan-1-ol?
The InChIKey is VRLWWGJERFQPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-11(12)9-6-4-7-10(8-9)13-2/h4,6-8,11-12H,3,5H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)butan-1-ol?
1-(3-methoxyphenyl)butan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 2793894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).