(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol

C16H12Cl2O2 — CID 114723344

IUPAC(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3ccc(Cl)c(Cl)c3)oc12
InChIInChI=1S/C16H12Cl2O2/c1-9-3-2-4-11-8-14(20-16(9)11)15(19)10-5-6-12(17)13(18)7-10/h2-8,15,19H,1H3
InChIKeyAQZDZKHQOPWXLW-UHFFFAOYSA-N
MW307.18 g/mol
LogP5.13
Rot. Bonds2

About (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol

(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114723344) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114723344
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3ccc(Cl)c(Cl)c3)oc12
InChIInChI=1S/C16H12Cl2O2/c1-9-3-2-4-11-8-14(20-16(9)11)15(19)10-5-6-12(17)13(18)7-10/h2-8,15,19H,1H3
InChIKeyAQZDZKHQOPWXLW-UHFFFAOYSA-N
XLogP5.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.18
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
(7-chloro-1-benzofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 114724795
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114723321
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
(5-chlorofuran-2-yl)-(3,4-dichlorophenyl)methanol
CID 106688862
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
(3-bromofuran-2-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 106886296

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 114723344) is (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3ccc(Cl)c(Cl)c3)oc12.
What is the InChIKey of (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is AQZDZKHQOPWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-9-3-2-4-11-8-14(20-16(9)11)15(19)10-5-6-12(17)13(18)7-10/h2-8,15,19H,1H3.
What are the key properties of (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol?
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 307.18 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114723344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).