1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene

C16H21ClO — CID 19097942

IUPAC1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClO/c1-18-12-2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h2-3,8-11,13-14H,4-7,12H2,1H3/b3-2+
InChIKeySOKKAROQRRODNR-NSCUHMNNSA-N
MW264.80 g/mol
LogP4.82
Rot. Bonds4

About 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene

1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene (PubChem CID 19097942) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
PubChem CID19097942
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClO/c1-18-12-2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h2-3,8-11,13-14H,4-7,12H2,1H3/b3-2+
InChIKeySOKKAROQRRODNR-NSCUHMNNSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-[4-(3-methoxyprop-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 54492468
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
1-chloro-4-[4-[(E)-4-(4-methylcyclohexyl)but-1-enyl]cyclohexyl]benzene
CID 139629318
4-[4-(4-chlorophenyl)cyclohexyl]but-3-enoic acid
CID 67844193
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437
(4-bromophenyl) 4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzoate
CID 67822196
1-chloro-4-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]phenyl]benzene
CID 54385187
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
1,4-bis[4-[(E)-2-chloroethenyl]cyclohexyl]benzene
CID 18656188
1-chloro-4-[3-(4-pentylcyclohexyl)prop-2-enoxy]benzene
CID 57271529
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
The IUPAC name of 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene (CID 19097942) is 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene is COC/C=C/C1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
The InChIKey is SOKKAROQRRODNR-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H21ClO/c1-18-12-2-3-13-4-6-14(7-5-13)15-8-10-16(17)11-9-15/h2-3,8-11,13-14H,4-7,12H2,1H3/b3-2+.
What are the key properties of 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene?
1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene has a molecular weight of 264.80 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]benzene is sourced from PubChem (CID 19097942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).