(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol

C13H13ClO4 — CID 63947956

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
SMILESCOc1cc(C(O)c2ccco2)cc(Cl)c1OC
InChIInChI=1S/C13H13ClO4/c1-16-11-7-8(6-9(14)13(11)17-2)12(15)10-4-3-5-18-10/h3-7,12,15H,1-2H3
InChIKeyPXTHZBSELJZFLD-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.03
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol

(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol (PubChem CID 63947956) has the molecular formula C13H13ClO4 and a molecular weight of 268.70 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
PubChem CID63947956
Molecular FormulaC13H13ClO4
Molecular Weight268.70 g/mol
Exact Mass268.05
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
SMILESCOc1cc(C(O)c2ccco2)cc(Cl)c1OC
InChIInChI=1S/C13H13ClO4/c1-16-11-7-8(6-9(14)13(11)17-2)12(15)10-4-3-5-18-10/h3-7,12,15H,1-2H3
InChIKeyPXTHZBSELJZFLD-UHFFFAOYSA-N
XLogP3.03
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 60955788
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 62800710
(3-chloro-4,5-dimethoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099476
(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
CID 95256736
(4-bromo-3-chlorophenyl)-(furan-2-yl)methanol
CID 115797505
2-(5-chloro-2,4-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60897326
2-(4-chloro-2,5-dimethoxyanilino)-1-(furan-2-yl)ethanol
CID 60898821
1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
CID 102517509
(2-fluoro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 62867118
furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
1-(3-chloro-4,5-dimethoxyphenyl)but-3-en-1-ol
CID 61380155

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol (CID 63947956) is (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol is COc1cc(C(O)c2ccco2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
The InChIKey is PXTHZBSELJZFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO4/c1-16-11-7-8(6-9(14)13(11)17-2)12(15)10-4-3-5-18-10/h3-7,12,15H,1-2H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol?
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol has a molecular weight of 268.70 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol is sourced from PubChem (CID 63947956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).