1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol

C16H23ClO2 — CID 106867637

IUPAC1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESCc1ccc(CC(O)C2(O)CCCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClO2/c1-12-6-7-13(14(17)10-12)11-15(18)16(19)8-4-2-3-5-9-16/h6-7,10,15,18-19H,2-5,8-9,11H2,1H3
InChIKeyPDVLOKSDIPMMIG-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.64
Rot. Bonds3

About 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol

1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol (PubChem CID 106867637) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
PubChem CID106867637
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESCc1ccc(CC(O)C2(O)CCCCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClO2/c1-12-6-7-13(14(17)10-12)11-15(18)16(19)8-4-2-3-5-9-16/h6-7,10,15,18-19H,2-5,8-9,11H2,1H3
InChIKeyPDVLOKSDIPMMIG-UHFFFAOYSA-N
XLogP3.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
2-(2-chloro-4-methylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106867191
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 106867603
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
2-(2-chloro-4-methylphenyl)-1-(1-ethoxycycloheptyl)ethanamine
CID 106868865
2-(2-chloro-4-methylphenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 106867449
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-[2-(5-chlorothiophen-2-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451627
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
[2-(2-chloro-4-methylphenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 106871506

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The IUPAC name of 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol (CID 106867637) is 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol is Cc1ccc(CC(O)C2(O)CCCCCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The InChIKey is PDVLOKSDIPMMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO2/c1-12-6-7-13(14(17)10-12)11-15(18)16(19)8-4-2-3-5-9-16/h6-7,10,15,18-19H,2-5,8-9,11H2,1H3.
What are the key properties of 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol?
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol has a molecular weight of 282.81 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol is sourced from PubChem (CID 106867637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).