1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol

C15H21ClO2 — CID 131857261

IUPAC1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
SMILESOC(CCl)COc1ccccc1C1CCCCC1
InChIInChI=1S/C15H21ClO2/c16-10-13(17)11-18-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2
InChIKeyVGIYDXZCZQZEFB-UHFFFAOYSA-N
MW268.78 g/mol
LogP3.71
Rot. Bonds5

About 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol

1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol (PubChem CID 131857261) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
PubChem CID131857261
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
SMILESOC(CCl)COc1ccccc1C1CCCCC1
InChIInChI=1S/C15H21ClO2/c16-10-13(17)11-18-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2
InChIKeyVGIYDXZCZQZEFB-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 70048759
1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol
CID 22113429
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
1-(2-cyclopentylphenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol;oxalic acid
CID 157078518
1-(4-bromobutoxy)-2-cyclohexylbenzene
CID 12660402
bis[1-(cyclopentylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] oxalate
CID 57135087
1-(bromomethoxy)-2-cyclopropylbenzene
CID 174624638
(2-cyclohexylphenyl) dihydrogen phosphite
CID 22719070
bis(2-cyclohexylphenyl) nonanedioate
CID 144725019
(2-phenoxyphenyl)cycloheptane
CID 56995549
1-[2-(3-chloro-2-hydroxypropoxy)phenyl]-2-hydroxyethanone
CID 21162592

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol (CID 131857261) is 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol is OC(CCl)COc1ccccc1C1CCCCC1.
What is the InChIKey of 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol?
The InChIKey is VGIYDXZCZQZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c16-10-13(17)11-18-15-9-5-4-8-14(15)12-6-2-1-3-7-12/h4-5,8-9,12-13,17H,1-3,6-7,10-11H2.
What are the key properties of 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol?
1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol has a molecular weight of 268.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol is sourced from PubChem (CID 131857261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).