1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol

C16H22Cl2O — CID 107307327

IUPAC1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H22Cl2O/c1-2-4-12-7-9-16(19,10-8-12)11-13-5-3-6-14(17)15(13)18/h3,5-6,12,19H,2,4,7-11H2,1H3
InChIKeyRPCHMWZJOQCDGO-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.26
Rot. Bonds4

About 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol

1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 107307327) has the molecular formula C16H22Cl2O and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
PubChem CID107307327
Molecular FormulaC16H22Cl2O
Molecular Weight301.26 g/mol
Exact Mass300.10
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H22Cl2O/c1-2-4-12-7-9-16(19,10-8-12)11-13-5-3-6-14(17)15(13)18/h3,5-6,12,19H,2,4,7-11H2,1H3
InChIKeyRPCHMWZJOQCDGO-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090405
1-[(2,3-dichlorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107310679
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
1-[(2-methylphenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090602
1-[(5-chlorothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 65147671
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexan-1-ol
CID 65147469
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol (CID 107307327) is 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is RPCHMWZJOQCDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O/c1-2-4-12-7-9-16(19,10-8-12)11-13-5-3-6-14(17)15(13)18/h3,5-6,12,19H,2,4,7-11H2,1H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol?
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 301.26 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 107307327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).