(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol

C18H23ClO2 — CID 114726690

IUPAC(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
SMILESCC(C)C1CCC(C(O)c2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C18H23ClO2/c1-11(2)12-6-8-13(9-7-12)17(20)16-10-14-4-3-5-15(19)18(14)21-16/h3-5,10-13,17,20H,6-9H2,1-2H3
InChIKeyGZJAQNBAGPCITR-UHFFFAOYSA-N
MW306.83 g/mol
LogP5.58
Rot. Bonds3

About (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol

(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol (PubChem CID 114726690) has the molecular formula C18H23ClO2 and a molecular weight of 306.83 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
PubChem CID114726690
Molecular FormulaC18H23ClO2
Molecular Weight306.83 g/mol
Exact Mass306.14
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
SMILESCC(C)C1CCC(C(O)c2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C18H23ClO2/c1-11(2)12-6-8-13(9-7-12)17(20)16-10-14-4-3-5-15(19)18(14)21-16/h3-5,10-13,17,20H,6-9H2,1-2H3
InChIKeyGZJAQNBAGPCITR-UHFFFAOYSA-N
XLogP5.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.83
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
CID 115837587
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
(7-chloro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methanol
CID 114727149
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114726954
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
CID 114724261
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol (CID 114726690) is (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol is CC(C)C1CCC(C(O)c2cc3cccc(Cl)c3o2)CC1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol?
The InChIKey is GZJAQNBAGPCITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO2/c1-11(2)12-6-8-13(9-7-12)17(20)16-10-14-4-3-5-15(19)18(14)21-16/h3-5,10-13,17,20H,6-9H2,1-2H3.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol?
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol has a molecular weight of 306.83 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol is sourced from PubChem (CID 114726690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).