2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol

C15H22O3 — CID 66058016

IUPAC2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
SMILESCOc1ccc(CC(CO)CC2CCCO2)cc1
InChIInChI=1S/C15H22O3/c1-17-14-6-4-12(5-7-14)9-13(11-16)10-15-3-2-8-18-15/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyIABRRBXTGXHTGJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.42
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol

2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol (PubChem CID 66058016) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
PubChem CID66058016
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
SMILESCOc1ccc(CC(CO)CC2CCCO2)cc1
InChIInChI=1S/C15H22O3/c1-17-14-6-4-12(5-7-14)9-13(11-16)10-15-3-2-8-18-15/h4-7,13,15-16H,2-3,8-11H2,1H3
InChIKeyIABRRBXTGXHTGJ-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(bromomethyl)-3-(4-methoxyphenyl)propyl]oxolane
CID 66043103
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]oxolane
CID 65158223
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
CID 10037202
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]oxolane
CID 65158018

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol (CID 66058016) is 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol is COc1ccc(CC(CO)CC2CCCO2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is IABRRBXTGXHTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-17-14-6-4-12(5-7-14)9-13(11-16)10-15-3-2-8-18-15/h4-7,13,15-16H,2-3,8-11H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol?
2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 66058016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).