1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol

C16H23ClO — CID 117420897

IUPAC1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClO/c1-11-3-6-14(7-4-11)15-8-5-13(9-12(2)18)10-16(15)17/h5,8,10-12,14,18H,3-4,6-7,9H2,1-2H3
InChIKeyYKJIPTBPLLBTMP-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.56
Rot. Bonds3

About 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol

1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol (PubChem CID 117420897) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol
PubChem CID117420897
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2CCC(C)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClO/c1-11-3-6-14(7-4-11)15-8-5-13(9-12(2)18)10-16(15)17/h5,8,10-12,14,18H,3-4,6-7,9H2,1-2H3
InChIKeyYKJIPTBPLLBTMP-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
1-[3-chloro-4-(thiolan-3-yl)phenyl]propan-2-ol
CID 117395491
2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
1-(3-chloro-4-cyclopentyloxyphenyl)propan-2-ol
CID 115005691
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117408759
2-amino-2-[3-chloro-4-(4-methylcyclohexyl)phenyl]acetic acid
CID 117452709
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
1-(2-cyclopropylphenyl)-2-(3,4-dichlorophenyl)ethanol
CID 79983379
1-[3-chloro-4-(thiolan-3-yloxy)phenyl]propan-2-ol
CID 115005752
1-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]propan-2-ol
CID 117469790
2-chloro-1-cyclopropyl-4-methylbenzene;ethane
CID 144845511
3-[3-chloro-4-(thian-4-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117497938

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol (CID 117420897) is 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol is CC(O)Cc1ccc(C2CCC(C)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol?
The InChIKey is YKJIPTBPLLBTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-11-3-6-14(7-4-11)15-8-5-13(9-12(2)18)10-16(15)17/h5,8,10-12,14,18H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol?
1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol has a molecular weight of 266.81 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-methylcyclohexyl)phenyl]propan-2-ol is sourced from PubChem (CID 117420897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).