2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol

C18H23ClO2 — CID 114733757

IUPAC2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cc3cc(Cl)ccc3o2)C(O)C1
InChIInChI=1S/C18H23ClO2/c1-11-4-6-14(15(20)8-11)18(2,3)17-10-12-9-13(19)5-7-16(12)21-17/h5,7,9-11,14-15,20H,4,6,8H2,1-3H3
InChIKeyOVSOHPAVOAYQGZ-UHFFFAOYSA-N
MW306.83 g/mol
LogP5.16
Rot. Bonds2

About 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 114733757) has the molecular formula C18H23ClO2 and a molecular weight of 306.83 g/mol. Its IUPAC name is 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID114733757
Molecular FormulaC18H23ClO2
Molecular Weight306.83 g/mol
Exact Mass306.14
IUPAC Name2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cc3cc(Cl)ccc3o2)C(O)C1
InChIInChI=1S/C18H23ClO2/c1-11-4-6-14(15(20)8-11)18(2,3)17-10-12-9-13(19)5-7-16(12)21-17/h5,7,9-11,14-15,20H,4,6,8H2,1-3H3
InChIKeyOVSOHPAVOAYQGZ-UHFFFAOYSA-N
XLogP5.16
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.83
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 114733757) is 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2cc3cc(Cl)ccc3o2)C(O)C1.
What is the InChIKey of 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is OVSOHPAVOAYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO2/c1-11-4-6-14(15(20)8-11)18(2,3)17-10-12-9-13(19)5-7-16(12)21-17/h5,7,9-11,14-15,20H,4,6,8H2,1-3H3.
What are the key properties of 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 306.83 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 114733757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).