(5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde

C15H17ClO2 — CID 129379888

IUPAC(5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde
SMILESCO[C@]1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1
InChIInChI=1S/C15H17ClO2/c1-15(18-2)8-7-14(12(9-15)10-17)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3/t15-/m1/s1
InChIKeyWEKVUZKVUWJAFG-OAHLLOKOSA-N
MW264.75 g/mol
LogP3.88
Rot. Bonds3

About (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde

(5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde (PubChem CID 129379888) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde
PubChem CID129379888
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name(5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde
SMILESCO[C@]1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1
InChIInChI=1S/C15H17ClO2/c1-15(18-2)8-7-14(12(9-15)10-17)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3/t15-/m1/s1
InChIKeyWEKVUZKVUWJAFG-OAHLLOKOSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-chloro-5-methoxy-5-methylcyclohexene-1-carbaldehyde
CID 129379870
2-(3-chloro-5-fluorophenyl)-5,5-dimethylcyclohexene-1-carbaldehyde
CID 90317237
2-(4-chloro-3-fluorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde
CID 90410164
2-[4-(difluoromethyl)phenyl]-4,4-dimethylcyclohexene-1-carbaldehyde
CID 90410997
1-chloro-4-(3-methoxy-3-methylcyclohexyl)benzene;cyclohexene-1-carbaldehyde
CID 174795977
1-chloro-4-phenylbenzene;methyl formate
CID 175142329
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
2-chloro-4-(methoxymethyl)-4-methylcyclohexene-1-carbaldehyde
CID 87279539
1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
CID 69123397
ethyl 2-(4-chlorophenyl)-4,4-dimethylcyclopentene-1-carboxylate
CID 67226513
7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
CID 105482540
1-[2-(4-chlorophenyl)-4,4-dimethylcyclopenten-1-yl]-4-methylsulfonylbenzene
CID 10155469

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde?
The IUPAC name of (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde (CID 129379888) is (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde.
What is the SMILES notation for (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde?
The canonical SMILES for (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde is CO[C@]1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1.
What is the InChIKey of (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde?
The InChIKey is WEKVUZKVUWJAFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17ClO2/c1-15(18-2)8-7-14(12(9-15)10-17)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde?
(5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde has a molecular weight of 264.75 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-chlorophenyl)-5-methoxy-5-methylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 129379888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).