(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol

C14H15ClO2 — CID 115484595

IUPAC(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccoc2C)cc1C
InChIInChI=1S/C14H15ClO2/c1-8-6-12(13(15)7-9(8)2)14(16)11-4-5-17-10(11)3/h4-7,14,16H,1-3H3
InChIKeyOKURNBZPRFKUAW-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.94
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol

(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol (PubChem CID 115484595) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
PubChem CID115484595
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccoc2C)cc1C
InChIInChI=1S/C14H15ClO2/c1-8-6-12(13(15)7-9(8)2)14(16)11-4-5-17-10(11)3/h4-7,14,16H,1-3H3
InChIKeyOKURNBZPRFKUAW-UHFFFAOYSA-N
XLogP3.94
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(4-methoxy-3-methylphenyl)-(2-methylfuran-3-yl)methanol
CID 61082456
(2-bromo-4,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61088712
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 115484494
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol (CID 115484595) is (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol is Cc1cc(Cl)c(C(O)c2ccoc2C)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol?
The InChIKey is OKURNBZPRFKUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-8-6-12(13(15)7-9(8)2)14(16)11-4-5-17-10(11)3/h4-7,14,16H,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol?
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol has a molecular weight of 250.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol is sourced from PubChem (CID 115484595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).