2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol

C15H21ClO2 — CID 66060580

IUPAC2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
SMILESOCC(CCC1CCCO1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21ClO2/c16-14-4-1-3-12(10-14)9-13(11-17)6-7-15-5-2-8-18-15/h1,3-4,10,13,15,17H,2,5-9,11H2
InChIKeyCZVDNOWMPLMVHD-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.45
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol

2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol (PubChem CID 66060580) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
PubChem CID66060580
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol
SMILESOCC(CCC1CCCO1)Cc1cccc(Cl)c1
InChIInChI=1S/C15H21ClO2/c16-14-4-1-3-12(10-14)9-13(11-17)6-7-15-5-2-8-18-15/h1,3-4,10,13,15,17H,2,5-9,11H2
InChIKeyCZVDNOWMPLMVHD-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-ol
CID 66059074
2-[3-(bromomethyl)-4-(4-chlorophenyl)butyl]oxolane
CID 66042689
1-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 82834455
(2S)-2-[(3-chlorophenyl)methyl]hexane-1,6-diol
CID 172914223
2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142480
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol (CID 66060580) is 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol is OCC(CCC1CCCO1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is CZVDNOWMPLMVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c16-14-4-1-3-12(10-14)9-13(11-17)6-7-15-5-2-8-18-15/h1,3-4,10,13,15,17H,2,5-9,11H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol?
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 268.78 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 66060580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).