1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol

C16H19ClO2 — CID 114723977

IUPAC1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C16H19ClO2/c1-11-4-3-8-16(18,9-7-11)14-10-12-5-2-6-13(17)15(12)19-14/h2,5-6,10-11,18H,3-4,7-9H2,1H3
InChIKeyUZDJZJYNHQVGPB-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.87
Rot. Bonds1

About 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol

1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol (PubChem CID 114723977) has the molecular formula C16H19ClO2 and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
PubChem CID114723977
Molecular FormulaC16H19ClO2
Molecular Weight278.78 g/mol
Exact Mass278.11
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2cc3cccc(Cl)c3o2)CC1
InChIInChI=1S/C16H19ClO2/c1-11-4-3-8-16(18,9-7-11)14-10-12-5-2-6-13(17)15(12)19-14/h2,5-6,10-11,18H,3-4,7-9H2,1H3
InChIKeyUZDJZJYNHQVGPB-UHFFFAOYSA-N
XLogP4.87
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol
CID 114724352
3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine
CID 114733656
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114733667
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
CID 114736013
4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol (CID 114723977) is 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol is CC1CCCC(O)(c2cc3cccc(Cl)c3o2)CC1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol?
The InChIKey is UZDJZJYNHQVGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO2/c1-11-4-3-8-16(18,9-7-11)14-10-12-5-2-6-13(17)15(12)19-14/h2,5-6,10-11,18H,3-4,7-9H2,1H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol?
1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol is sourced from PubChem (CID 114723977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).