2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol

C13H17ClO2 — CID 106931301

IUPAC2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol
SMILESOCC(COCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClO2/c14-13-3-1-2-11(6-13)12(7-15)9-16-8-10-4-5-10/h1-3,6,10,12,15H,4-5,7-9H2
InChIKeyMKXIWFBCMXNJGP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.84
Rot. Bonds6

About 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol

2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol (PubChem CID 106931301) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol
PubChem CID106931301
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol
SMILESOCC(COCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClO2/c14-13-3-1-2-11(6-13)12(7-15)9-16-8-10-4-5-10/h1-3,6,10,12,15H,4-5,7-9H2
InChIKeyMKXIWFBCMXNJGP-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931388
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
1-chloro-4-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931382
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
[1-bromo-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 65016411
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol (CID 106931301) is 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol is OCC(COCC1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol?
The InChIKey is MKXIWFBCMXNJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c14-13-3-1-2-11(6-13)12(7-15)9-16-8-10-4-5-10/h1-3,6,10,12,15H,4-5,7-9H2.
What are the key properties of 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol?
2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol is sourced from PubChem (CID 106931301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).