(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

C16H14Cl2O2 — CID 61081247

IUPAC(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC1Cc2cc(C(O)c3ccc(Cl)cc3Cl)ccc2O1
InChIInChI=1S/C16H14Cl2O2/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-4-3-12(17)8-14(13)18/h2-5,7-9,16,19H,6H2,1H3
InChIKeyKKCFNRREMPZGKW-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.40
Rot. Bonds2

About (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 61081247) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID61081247
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCC1Cc2cc(C(O)c3ccc(Cl)cc3Cl)ccc2O1
InChIInChI=1S/C16H14Cl2O2/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-4-3-12(17)8-14(13)18/h2-5,7-9,16,19H,6H2,1H3
InChIKeyKKCFNRREMPZGKW-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 82771936
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 82890400
5-[bromo-(2-chloro-4-methylphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 106863093
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43487238
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61081834
5-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 63442471
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
5-[bromo-(2-methylcyclopropyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61096385

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol (CID 61081247) is (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol is CC1Cc2cc(C(O)c3ccc(Cl)cc3Cl)ccc2O1.
What is the InChIKey of (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is KKCFNRREMPZGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-4-3-12(17)8-14(13)18/h2-5,7-9,16,19H,6H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
(2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 309.19 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 61081247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).