2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol

C16H10Cl2O3 — CID 172557262

IUPAC2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol
SMILESOc1ccc(-c2cocc2-c2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H10Cl2O3/c17-13-5-9(1-3-15(13)19)11-7-21-8-12(11)10-2-4-16(20)14(18)6-10/h1-8,19-20H
InChIKeyRNPFHJWPGXWCMQ-UHFFFAOYSA-N
MW321.16 g/mol
LogP5.33
Rot. Bonds2

About 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol

2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol (PubChem CID 172557262) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol
PubChem CID172557262
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol
SMILESOc1ccc(-c2cocc2-c2ccc(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C16H10Cl2O3/c17-13-5-9(1-3-15(13)19)11-7-21-8-12(11)10-2-4-16(20)14(18)6-10/h1-8,19-20H
InChIKeyRNPFHJWPGXWCMQ-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.16
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)furan-3-yl]phenol
CID 172557259
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3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
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2-chloro-4-(4-chloro-3-methylphenyl)phenol
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4-(1,3-benzodioxol-5-yl)-2-chlorophenol
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2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
CID 68875995
6-chloro-2-benzofuran-5-ol
CID 135240566
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
2-chloro-4-(2-chloronaphthalen-1-yl)phenol
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CID 141296759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
The IUPAC name of 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol (CID 172557262) is 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol.
What is the SMILES notation for 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
The canonical SMILES for 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol is Oc1ccc(-c2cocc2-c2ccc(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
The InChIKey is RNPFHJWPGXWCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c17-13-5-9(1-3-15(13)19)11-7-21-8-12(11)10-2-4-16(20)14(18)6-10/h1-8,19-20H.
What are the key properties of 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol has a molecular weight of 321.16 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(3-chloro-4-hydroxyphenyl)furan-3-yl]phenol is sourced from PubChem (CID 172557262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).