(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol

C11H13ClO2 — CID 58566665

IUPAC(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
SMILESCC1(C)Cc2c(ccc(Cl)c2CO)O1
InChIInChI=1S/C11H13ClO2/c1-11(2)5-7-8(6-13)9(12)3-4-10(7)14-11/h3-4,13H,5-6H2,1-2H3
InChIKeyHECXDHDEPMKELE-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.55
Rot. Bonds1

About (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol

(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol (PubChem CID 58566665) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
PubChem CID58566665
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
SMILESCC1(C)Cc2c(ccc(Cl)c2CO)O1
InChIInChI=1S/C11H13ClO2/c1-11(2)5-7-8(6-13)9(12)3-4-10(7)14-11/h3-4,13H,5-6H2,1-2H3
InChIKeyHECXDHDEPMKELE-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566507
3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methoxy]phenyl]-2-methylpropanoic acid
CID 58566466
2-(4-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanamine
CID 117097115
2-amino-1-(4-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-one
CID 117097034
4-fluoro-2,2-dimethyl-3H-1-benzofuran-5-carboxylic acid
CID 117097205
2,2-dimethyl-3H-1-benzofuran-4-carboxamide
CID 86668248
(7-bromo-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
CID 118897777
2,2-dimethyl-4-propan-2-yl-3H-1-benzofuran
CID 123856255
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The IUPAC name of (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol (CID 58566665) is (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol.
What is the SMILES notation for (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The canonical SMILES for (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol is CC1(C)Cc2c(ccc(Cl)c2CO)O1.
What is the InChIKey of (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
The InChIKey is HECXDHDEPMKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-11(2)5-7-8(6-13)9(12)3-4-10(7)14-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol?
(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol has a molecular weight of 212.68 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol is sourced from PubChem (CID 58566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).