1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C17H24Cl2O — CID 65316567

IUPAC1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C17H24Cl2O/c1-11(2)15-6-4-12(3)9-17(15,20)10-13-8-14(18)5-7-16(13)19/h5,7-8,11-12,15,20H,4,6,9-10H2,1-3H3
InChIKeyABDYJNKPZSEECY-UHFFFAOYSA-N
MW315.28 g/mol
LogP5.36
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 65316567) has the molecular formula C17H24Cl2O and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID65316567
Molecular FormulaC17H24Cl2O
Molecular Weight315.28 g/mol
Exact Mass314.12
IUPAC Name1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C17H24Cl2O/c1-11(2)15-6-4-12(3)9-17(15,20)10-13-8-14(18)5-7-16(13)19/h5,7-8,11-12,15,20H,4,6,9-10H2,1-3H3
InChIKeyABDYJNKPZSEECY-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 60798187
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
1-[(2-chloro-5-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 102617496
1-[(2,5-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65316674
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 171432804
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 65316567) is 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is ABDYJNKPZSEECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2O/c1-11(2)15-6-4-12(3)9-17(15,20)10-13-8-14(18)5-7-16(13)19/h5,7-8,11-12,15,20H,4,6,9-10H2,1-3H3.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 315.28 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 65316567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).