(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol

C13H13ClO3 — CID 106693602

IUPAC(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccoc2Cl)c(C)c1
InChIInChI=1S/C13H13ClO3/c1-8-7-9(16-2)3-4-10(8)12(15)11-5-6-17-13(11)14/h3-7,12,15H,1-2H3
InChIKeyQXAHQDDHCBQPBR-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.33
Rot. Bonds3

About (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol

(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol (PubChem CID 106693602) has the molecular formula C13H13ClO3 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol
PubChem CID106693602
Molecular FormulaC13H13ClO3
Molecular Weight252.70 g/mol
Exact Mass252.06
IUPAC Name(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2ccoc2Cl)c(C)c1
InChIInChI=1S/C13H13ClO3/c1-8-7-9(16-2)3-4-10(8)12(15)11-5-6-17-13(11)14/h3-7,12,15H,1-2H3
InChIKeyQXAHQDDHCBQPBR-UHFFFAOYSA-N
XLogP3.33
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
(2,5-dimethylphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101284
(2,4-dimethoxyphenyl)-(2-methylfuran-3-yl)methanol
CID 61086779
(5-chlorothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanol
CID 62278042
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 102884370
2,2-dichloro-1-(4-methoxy-2-methylphenyl)ethanol
CID 164892247
(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 65313144
(5-bromo-2-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 65313436
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(4-methoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81118539

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol (CID 106693602) is (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2ccoc2Cl)c(C)c1.
What is the InChIKey of (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is QXAHQDDHCBQPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3/c1-8-7-9(16-2)3-4-10(8)12(15)11-5-6-17-13(11)14/h3-7,12,15H,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol?
(2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 252.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 106693602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).