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

C15H12Cl2O2 — CID 61100429

IUPAC(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12Cl2O2/c16-12-6-11(7-13(17)8-12)15(18)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15,18H,3-4H2
InChIKeyXADQPAVVTYDYAM-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.01
Rot. Bonds2

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

(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 61100429) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID61100429
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12Cl2O2/c16-12-6-11(7-13(17)8-12)15(18)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15,18H,3-4H2
InChIKeyXADQPAVVTYDYAM-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
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
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 62199956
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107947446
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 61100429) is (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is XADQPAVVTYDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-12-6-11(7-13(17)8-12)15(18)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15,18H,3-4H2.
What are the key properties of (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol?
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 295.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 61100429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).