(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol

C16H12Cl2O2 — CID 106859550

IUPAC(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)c(Cl)c1
InChIInChI=1S/C16H12Cl2O2/c1-9-2-4-12(13(18)6-9)16(19)15-8-10-7-11(17)3-5-14(10)20-15/h2-8,16,19H,1H3
InChIKeyVCCMZJNHVLGUHA-UHFFFAOYSA-N
MW307.18 g/mol
LogP5.13
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol

(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol (PubChem CID 106859550) has the molecular formula C16H12Cl2O2 and a molecular weight of 307.18 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
PubChem CID106859550
Molecular FormulaC16H12Cl2O2
Molecular Weight307.18 g/mol
Exact Mass306.02
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cc(Cl)ccc3o2)c(Cl)c1
InChIInChI=1S/C16H12Cl2O2/c1-9-2-4-12(13(18)6-9)16(19)15-8-10-7-11(17)3-5-14(10)20-15/h2-8,16,19H,1H3
InChIKeyVCCMZJNHVLGUHA-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

(5-chloro-1-benzofuran-2-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969916
(5-chloro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methanol
CID 114726543
(5-chloro-1-benzofuran-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 114726426
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
(5-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanol
CID 114724857
(5-chloro-1-benzofuran-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105129403
(3-bromo-2-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methanol
CID 115836547
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol (CID 106859550) is (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc3cc(Cl)ccc3o2)c(Cl)c1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol?
The InChIKey is VCCMZJNHVLGUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O2/c1-9-2-4-12(13(18)6-9)16(19)15-8-10-7-11(17)3-5-14(10)20-15/h2-8,16,19H,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol?
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)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 (5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 106859550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).