2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol

C15H21ClO2 — CID 103142480

IUPAC2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
SMILESCC1CCC(CC(CO)Cc2cccc(Cl)c2)O1
InChIInChI=1S/C15H21ClO2/c1-11-5-6-15(18-11)9-13(10-17)7-12-3-2-4-14(16)8-12/h2-4,8,11,13,15,17H,5-7,9-10H2,1H3
InChIKeyOXHMOHXVDXJXME-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.45
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol

2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol (PubChem CID 103142480) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
PubChem CID103142480
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
SMILESCC1CCC(CC(CO)Cc2cccc(Cl)c2)O1
InChIInChI=1S/C15H21ClO2/c1-11-5-6-15(18-11)9-13(10-17)7-12-3-2-4-14(16)8-12/h2-4,8,11,13,15,17H,5-7,9-10H2,1H3
InChIKeyOXHMOHXVDXJXME-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
CID 66060580
2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138163
[2-(3-chlorophenyl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
CID 105283507
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,2-dimethyloxolane
CID 116525232
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
(2S)-2-[(3-chlorophenyl)methyl]hexane-1,6-diol
CID 172914223
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
4-tert-butylsulfonyl-2-[(3-chlorophenyl)methyl]butan-1-ol
CID 106734378
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol (CID 103142480) is 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol is CC1CCC(CC(CO)Cc2cccc(Cl)c2)O1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
The InChIKey is OXHMOHXVDXJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-11-5-6-15(18-11)9-13(10-17)7-12-3-2-4-14(16)8-12/h2-4,8,11,13,15,17H,5-7,9-10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol?
2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol has a molecular weight of 268.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 103142480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).