[2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol

C16H23ClO2 — CID 161000448

IUPAC[2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol
SMILESCC1(C)CCC(Cc2ccc(Cl)cc2)=C1CO.CO
InChIInChI=1S/C15H19ClO.CH4O/c1-15(2)8-7-12(14(15)10-17)9-11-3-5-13(16)6-4-11;1-2/h3-6,17H,7-10H2,1-2H3;2H,1H3
InChIKeyTVUMEARCCAXXKR-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.60
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol

[2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol (PubChem CID 161000448) has the molecular formula C16H23ClO2 and a molecular weight of 282.81 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol
PubChem CID161000448
Molecular FormulaC16H23ClO2
Molecular Weight282.81 g/mol
Exact Mass282.14
IUPAC Name[2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol
SMILESCC1(C)CCC(Cc2ccc(Cl)cc2)=C1CO.CO
InChIInChI=1S/C15H19ClO.CH4O/c1-15(2)8-7-12(14(15)10-17)9-11-3-5-13(16)6-4-11;1-2/h3-6,17H,7-10H2,1-2H3;2H,1H3
InChIKeyTVUMEARCCAXXKR-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol (CID 161000448) is [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol is CC1(C)CCC(Cc2ccc(Cl)cc2)=C1CO.CO.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol?
The InChIKey is TVUMEARCCAXXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO.CH4O/c1-15(2)8-7-12(14(15)10-17)9-11-3-5-13(16)6-4-11;1-2/h3-6,17H,7-10H2,1-2H3;2H,1H3.
What are the key properties of [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol?
[2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol has a molecular weight of 282.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-5,5-dimethylcyclopenten-1-yl]methanol;methanol is sourced from PubChem (CID 161000448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).