2-(3-chlorophenoxy)cyclohexan-1-ol

C12H15ClO2 — CID 60880666

IUPAC2-(3-chlorophenoxy)cyclohexan-1-ol
SMILESOC1CCCCC1Oc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h3-5,8,11-12,14H,1-2,6-7H2
InChIKeyTWDXNRLJUKECFZ-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.02
Rot. Bonds2

About 2-(3-chlorophenoxy)cyclohexan-1-ol

2-(3-chlorophenoxy)cyclohexan-1-ol (PubChem CID 60880666) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)cyclohexan-1-ol
PubChem CID60880666
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(3-chlorophenoxy)cyclohexan-1-ol
SMILESOC1CCCCC1Oc1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h3-5,8,11-12,14H,1-2,6-7H2
InChIKeyTWDXNRLJUKECFZ-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
trans-(1S,2S)-2-(3-iodophenoxy)cyclohexan-1-ol
CID 102732469
2-phenoxycyclooctan-1-ol
CID 22247671
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
2-[3-(dimethylamino)phenoxy]cyclopentan-1-ol
CID 61229092
2-(3-nitrophenoxy)cyclopentan-1-ol
CID 60878979
trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)cyclohexan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)cyclohexan-1-ol (CID 60880666) is 2-(3-chlorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)cyclohexan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)cyclohexan-1-ol is OC1CCCCC1Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)cyclohexan-1-ol?
The InChIKey is TWDXNRLJUKECFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14/h3-5,8,11-12,14H,1-2,6-7H2.
What are the key properties of 2-(3-chlorophenoxy)cyclohexan-1-ol?
2-(3-chlorophenoxy)cyclohexan-1-ol has a molecular weight of 226.70 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 60880666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).