(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone

C14H15ClO2 — CID 62077963

IUPAC(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1=CCCCC1
InChIInChI=1S/C14H15ClO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3
InChIKeyRLXHYSHISCJWHA-UHFFFAOYSA-N
MW250.73 g/mol
LogP4.03
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone

(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone (PubChem CID 62077963) has the molecular formula C14H15ClO2 and a molecular weight of 250.73 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
PubChem CID62077963
Molecular FormulaC14H15ClO2
Molecular Weight250.73 g/mol
Exact Mass250.08
IUPAC Name(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1=CCCCC1
InChIInChI=1S/C14H15ClO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3
InChIKeyRLXHYSHISCJWHA-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone (CID 62077963) is (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone is COc1ccc(Cl)cc1C(=O)C1=CCCCC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone?
The InChIKey is RLXHYSHISCJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-17-13-8-7-11(15)9-12(13)14(16)10-5-3-2-4-6-10/h5,7-9H,2-4,6H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone?
(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone has a molecular weight of 250.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone is sourced from PubChem (CID 62077963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).