(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C16H15ClO4 — CID 104951010

IUPAC(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1ccc(O)c(Cl)c1)O2
InChIInChI=1S/C16H15ClO4/c1-20-10-3-5-15-11(7-10)14(19)8-16(21-15)9-2-4-13(18)12(17)6-9/h2-7,14,16,18-19H,8H2,1H3/t14-,16?/m1/s1
InChIKeyHETNUYUSQCFSGI-IURRXHLWSA-N
MW306.75 g/mol
LogP3.61
Rot. Bonds2

About (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951010) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951010
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@H](O)CC(c1ccc(O)c(Cl)c1)O2
InChIInChI=1S/C16H15ClO4/c1-20-10-3-5-15-11(7-10)14(19)8-16(21-15)9-2-4-13(18)12(17)6-9/h2-7,14,16,18-19H,8H2,1H3/t14-,16?/m1/s1
InChIKeyHETNUYUSQCFSGI-IURRXHLWSA-N
XLogP3.61
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
CID 104946997
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951048
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 104951010) is (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@H](O)CC(c1ccc(O)c(Cl)c1)O2.
What is the InChIKey of (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HETNUYUSQCFSGI-IURRXHLWSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-10-3-5-15-11(7-10)14(19)8-16(21-15)9-2-4-13(18)12(17)6-9/h2-7,14,16,18-19H,8H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 306.75 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).