1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene

C16H21Cl — CID 154637847

IUPAC1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene
SMILESClc1cccc(CC2CC2)c1C1CCCCC1
InChIInChI=1S/C16H21Cl/c17-15-8-4-7-14(11-12-9-10-12)16(15)13-5-2-1-3-6-13/h4,7-8,12-13H,1-3,5-6,9-11H2
InChIKeySYHCEGCQAVUIEG-UHFFFAOYSA-N
MW248.80 g/mol
LogP5.34
Rot. Bonds3

About 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene

1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene (PubChem CID 154637847) has the molecular formula C16H21Cl and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene
PubChem CID154637847
Molecular FormulaC16H21Cl
Molecular Weight248.80 g/mol
Exact Mass248.13
IUPAC Name1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene
SMILESClc1cccc(CC2CC2)c1C1CCCCC1
InChIInChI=1S/C16H21Cl/c17-15-8-4-7-14(11-12-9-10-12)16(15)13-5-2-1-3-6-13/h4,7-8,12-13H,1-3,5-6,9-11H2
InChIKeySYHCEGCQAVUIEG-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.80
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
(3-chloro-2-cyclopropylphenyl)methanol
CID 118269674
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
1-chloro-2-cyclohexyl-3-ethynylbenzene
CID 154412634
3-chloro-2-cyclobutylaniline
CID 68788107
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
(2,3-dichlorophenyl)cycloheptane
CID 166869288
1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene?
The IUPAC name of 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene (CID 154637847) is 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene.
What is the SMILES notation for 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene?
The canonical SMILES for 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene is Clc1cccc(CC2CC2)c1C1CCCCC1.
What is the InChIKey of 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene?
The InChIKey is SYHCEGCQAVUIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl/c17-15-8-4-7-14(11-12-9-10-12)16(15)13-5-2-1-3-6-13/h4,7-8,12-13H,1-3,5-6,9-11H2.
What are the key properties of 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene?
1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene has a molecular weight of 248.80 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene is sourced from PubChem (CID 154637847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).