[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol

C16H15ClO3 — CID 66364960

IUPAC[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c17-14-7-11(9-18)5-6-16(14)19-10-13-8-12-3-1-2-4-15(12)20-13/h1-7,13,18H,8-10H2
InChIKeyMYJIKVMSWSGWOX-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.21
Rot. Bonds4

About [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol

[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol (PubChem CID 66364960) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
PubChem CID66364960
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCC2Cc3ccccc3O2)c(Cl)c1
InChIInChI=1S/C16H15ClO3/c17-14-7-11(9-18)5-6-16(14)19-10-13-8-12-3-1-2-4-15(12)20-13/h1-7,13,18H,8-10H2
InChIKeyMYJIKVMSWSGWOX-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364175
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
CID 66348762
[3-chloro-4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanamine
CID 66362855
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 66348957
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
3,5-dichloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364358

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol (CID 66364960) is [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol is OCc1ccc(OCC2Cc3ccccc3O2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
The InChIKey is MYJIKVMSWSGWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c17-14-7-11(9-18)5-6-16(14)19-10-13-8-12-3-1-2-4-15(12)20-13/h1-7,13,18H,8-10H2.
What are the key properties of [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol?
[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol has a molecular weight of 290.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 66364960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).