(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone

C17H23ClO2 — CID 79697155

IUPAC(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCOc1cc(C(=O)C2CCC(C(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h8-13H,4-7H2,1-3H3
InChIKeySVVPVZQWSPFAAJ-UHFFFAOYSA-N
MW294.82 g/mol
LogP4.99
Rot. Bonds4

About (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone

(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone (PubChem CID 79697155) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
PubChem CID79697155
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone
SMILESCOc1cc(C(=O)C2CCC(C(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H23ClO2/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h8-13H,4-7H2,1-3H3
InChIKeySVVPVZQWSPFAAJ-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
(4-chloro-3-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 79697699
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-propan-2-ylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65424083
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
CID 116589251
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
(4-chloro-3-methoxyphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 115781751
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone (CID 79697155) is (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone is COc1cc(C(=O)C2CCC(C(C)C)CC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone?
The InChIKey is SVVPVZQWSPFAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-11(2)12-4-6-13(7-5-12)17(19)14-8-9-15(18)16(10-14)20-3/h8-13H,4-7H2,1-3H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone?
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone has a molecular weight of 294.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanone is sourced from PubChem (CID 79697155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).