(5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol

C9H9ClO2 — CID 10012624

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESOCC1COc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2
InChIKeyILVFHXCYAFRJLT-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.81
Rot. Bonds1

About (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol

(5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol (PubChem CID 10012624) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol
PubChem CID10012624
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESOCC1COc2ccc(Cl)cc21
InChIInChI=1S/C9H9ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2
InChIKeyILVFHXCYAFRJLT-UHFFFAOYSA-N
XLogP1.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44441193
3-(4-Chloro-2-cyclohexylphenoxy)propanoic acid
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5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
4-(4-Chloro-2-cyclohexylphenoxy)butanoic acid
CID 43169594
Ethanol, 2-(4-chloro-2-ethylphenoxy)-
CID 3041042
5-Chloro-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 20262465
(3R,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45267246
(3S,4R)-3-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 45270670
3-(4-Chloro-2-methylphenoxy)propane-1,2-diol
CID 20332706
1-(4-Chloro-2-methylphenoxy)propan-2-ol
CID 65278075
3-(2-Chloro-6-methylphenoxy)propan-1-ol
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Benzenemethanol, 5-chloro-3-ethyl-2-methoxy-
CID 42034

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol (CID 10012624) is (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol is OCC1COc2ccc(Cl)cc21.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The InChIKey is ILVFHXCYAFRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol has a molecular weight of 184.62 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 10012624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).