7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol

C16H17ClO2 — CID 115837587

IUPAC7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)C1C2CCCCC21
InChIInChI=1S/C16H17ClO2/c17-12-7-3-4-9-8-13(19-16(9)12)15(18)14-10-5-1-2-6-11(10)14/h3-4,7-8,10-11,14-15,18H,1-2,5-6H2
InChIKeySUKLAGRCODNTFP-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.56
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol

7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol (PubChem CID 115837587) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
PubChem CID115837587
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol
SMILESOC(c1cc2cccc(Cl)c2o1)C1C2CCCCC21
InChIInChI=1S/C16H17ClO2/c17-12-7-3-4-9-8-13(19-16(9)12)15(18)14-10-5-1-2-6-11(10)14/h3-4,7-8,10-11,14-15,18H,1-2,5-6H2
InChIKeySUKLAGRCODNTFP-UHFFFAOYSA-N
XLogP4.56
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol with MolForge

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
(7-chloro-1-benzofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methanol
CID 114727149
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(7-chloro-1-benzofuran-2-yl)methanol
CID 114726928
(7-chloro-1-benzofuran-2-yl)-(4-cyclopropylphenyl)methanol
CID 114724261
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
(7-chloro-1-benzofuran-2-yl)-(1,4-dimethylpiperazin-2-yl)methanol
CID 114726954
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol (CID 115837587) is 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol is OC(c1cc2cccc(Cl)c2o1)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol?
The InChIKey is SUKLAGRCODNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-12-7-3-4-9-8-13(19-16(9)12)15(18)14-10-5-1-2-6-11(10)14/h3-4,7-8,10-11,14-15,18H,1-2,5-6H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol?
7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol has a molecular weight of 276.76 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(7-chloro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115837587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).