(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

C16H15ClO3 — CID 104817396

IUPAC(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClO3/c1-19-14-4-2-3-12(17)15(14)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9,16,18H,7-8H2,1H3
InChIKeyDPUYHHMMICFUKL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.37
Rot. Bonds3

About (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol

(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 104817396) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID104817396
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClO3/c1-19-14-4-2-3-12(17)15(14)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9,16,18H,7-8H2,1H3
InChIKeyDPUYHHMMICFUKL-UHFFFAOYSA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 62198679
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 105006924
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
[2,3-dihydro-1-benzofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252568
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 104817396) is (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is COc1cccc(Cl)c1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is DPUYHHMMICFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-14-4-2-3-12(17)15(14)16(18)11-5-6-13-10(9-11)7-8-20-13/h2-6,9,16,18H,7-8H2,1H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 290.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 104817396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).