1-(3-methoxyphenyl)pentan-2-ol

C12H18O2 — CID 61261615

IUPAC1-(3-methoxyphenyl)pentan-2-ol
SMILESCCCC(O)Cc1cccc(OC)c1
InChIInChI=1S/C12H18O2/c1-3-5-11(13)8-10-6-4-7-12(9-10)14-2/h4,6-7,9,11,13H,3,5,8H2,1-2H3
InChIKeyHGHGDSBAWNEHJT-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.40
Rot. Bonds5

About 1-(3-methoxyphenyl)pentan-2-ol

1-(3-methoxyphenyl)pentan-2-ol (PubChem CID 61261615) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pentan-2-ol
PubChem CID61261615
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(3-methoxyphenyl)pentan-2-ol
SMILESCCCC(O)Cc1cccc(OC)c1
InChIInChI=1S/C12H18O2/c1-3-5-11(13)8-10-6-4-7-12(9-10)14-2/h4,6-7,9,11,13H,3,5,8H2,1-2H3
InChIKeyHGHGDSBAWNEHJT-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
CID 71163703
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
3-methoxy-1-(3-methoxyphenyl)hexan-2-ol
CID 116711612
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
CID 114473809
5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
CID 65095333
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pentan-2-ol?
The IUPAC name of 1-(3-methoxyphenyl)pentan-2-ol (CID 61261615) is 1-(3-methoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-(3-methoxyphenyl)pentan-2-ol is CCCC(O)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pentan-2-ol?
The InChIKey is HGHGDSBAWNEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-5-11(13)8-10-6-4-7-12(9-10)14-2/h4,6-7,9,11,13H,3,5,8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)pentan-2-ol?
1-(3-methoxyphenyl)pentan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pentan-2-ol is sourced from PubChem (CID 61261615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).