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

C16H22Cl2O — CID 107449760

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2O/c1-11(2)12-4-3-7-16(19,9-12)10-13-5-6-14(17)8-15(13)18/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3
InChIKeyKKBCUAZBICAHQA-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.11
Rot. Bonds3

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

1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449760) has the molecular formula C16H22Cl2O and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449760
Molecular FormulaC16H22Cl2O
Molecular Weight301.26 g/mol
Exact Mass300.10
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2O/c1-11(2)12-4-3-7-16(19,9-12)10-13-5-6-14(17)8-15(13)18/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3
InChIKeyKKBCUAZBICAHQA-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450124
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449763
4-[(2,4-dichlorophenyl)methyl]-2-ethyloxan-4-ol
CID 65149416
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025447
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 106798312

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol (CID 107449760) is 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is KKBCUAZBICAHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O/c1-11(2)12-4-3-7-16(19,9-12)10-13-5-6-14(17)8-15(13)18/h5-6,8,11-12,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 301.26 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).