[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride

C22H32Cl2 — CID 6438730

IUPAC[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride
SMILESCl.Clc1cc(/C=C\CC2CCCCCC2)ccc1C1CCCCC1
InChIInChI=1S/C22H31Cl.ClH/c23-22-17-19(12-8-11-18-9-4-1-2-5-10-18)15-16-21(22)20-13-6-3-7-14-20;/h8,12,15-18,20H,1-7,9-11,13-14H2;1H/b12-8-;
InChIKeyYAPBCZRQTMBLEF-JCTPKUEWSA-N
MW367.40 g/mol
LogP8.18
Rot. Bonds4

About [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride

[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride (PubChem CID 6438730) has the molecular formula C22H32Cl2 and a molecular weight of 367.40 g/mol. Its IUPAC name is [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride.

Molecular Properties

Compound Name[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride
PubChem CID6438730
Molecular FormulaC22H32Cl2
Molecular Weight367.40 g/mol
Exact Mass366.19
IUPAC Name[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride
SMILESCl.Clc1cc(/C=C\CC2CCCCCC2)ccc1C1CCCCC1
InChIInChI=1S/C22H31Cl.ClH/c23-22-17-19(12-8-11-18-9-4-1-2-5-10-18)15-16-21(22)20-13-6-3-7-14-20;/h8,12,15-18,20H,1-7,9-11,13-14H2;1H/b12-8-;
InChIKeyYAPBCZRQTMBLEF-JCTPKUEWSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride?
The IUPAC name of [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride (CID 6438730) is [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride.
What is the SMILES notation for [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride?
The canonical SMILES for [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride is Cl.Clc1cc(/C=C\CC2CCCCCC2)ccc1C1CCCCC1.
What is the InChIKey of [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride?
The InChIKey is YAPBCZRQTMBLEF-JCTPKUEWSA-N. The full InChI is InChI=1S/C22H31Cl.ClH/c23-22-17-19(12-8-11-18-9-4-1-2-5-10-18)15-16-21(22)20-13-6-3-7-14-20;/h8,12,15-18,20H,1-7,9-11,13-14H2;1H/b12-8-;.
What are the key properties of [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride?
[(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride has a molecular weight of 367.40 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]cycloheptane;hydrochloride is sourced from PubChem (CID 6438730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).