6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol

C16H15ClO4 — CID 63096617

IUPAC6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESCOc1ccc(Cl)cc1COc1ccc2c(c1)OCC2O
InChIInChI=1S/C16H15ClO4/c1-19-15-5-2-11(17)6-10(15)8-20-12-3-4-13-14(18)9-21-16(13)7-12/h2-7,14,18H,8-9H2,1H3
InChIKeyNUGRVGMMSSQFKA-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.35
Rot. Bonds4

About 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol

6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 63096617) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
PubChem CID63096617
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
SMILESCOc1ccc(Cl)cc1COc1ccc2c(c1)OCC2O
InChIInChI=1S/C16H15ClO4/c1-19-15-5-2-11(17)6-10(15)8-20-12-3-4-13-14(18)9-21-16(13)7-12/h2-7,14,18H,8-9H2,1H3
InChIKeyNUGRVGMMSSQFKA-UHFFFAOYSA-N
XLogP3.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55178381
6-[(3-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 63097123
6-[(2-methoxy-5-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096723
6-[(4-bromo-2-chlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 115690780
6-[(5-bromo-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63096189
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
6-chloro-2,3-dihydro-1-benzofuran-3-ol
CID 59606807
4-fluoro-2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxymethyl]benzonitrile
CID 103760042
6-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 55177806
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
6-but-2-ynoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096948

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol (CID 63096617) is 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol is COc1ccc(Cl)cc1COc1ccc2c(c1)OCC2O.
What is the InChIKey of 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is NUGRVGMMSSQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-15-5-2-11(17)6-10(15)8-20-12-3-4-13-14(18)9-21-16(13)7-12/h2-7,14,18H,8-9H2,1H3.
What are the key properties of 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol?
6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 306.75 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-methoxyphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 63096617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).