6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

C16H15ClO3 — CID 114714479

IUPAC6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccccc1C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H15ClO3/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-8,13,16,18H,9H2,1H3
InChIKeyZXAUTUVXJSBHET-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.91
Rot. Bonds2

About 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714479) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714479
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccccc1C1CC(O)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H15ClO3/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-8,13,16,18H,9H2,1H3
InChIKeyZXAUTUVXJSBHET-UHFFFAOYSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949102
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019
(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714479) is 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is COc1ccccc1C1CC(O)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZXAUTUVXJSBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-14-5-3-2-4-11(14)16-9-13(18)12-8-10(17)6-7-15(12)20-16/h2-8,13,16,18H,9H2,1H3.
What are the key properties of 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 290.75 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).