(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol

C19H19ClO3 — CID 102105033

IUPAC(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol
SMILESCC[C@@H](O)C1=C(Cl)c2ccccc2O[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H19ClO3/c1-3-15(21)17-18(20)14-6-4-5-7-16(14)23-19(17)12-8-10-13(22-2)11-9-12/h4-11,15,19,21H,3H2,1-2H3/t15-,19+/m1/s1
InChIKeyONKIVSURWCJDTO-BEFAXECRSA-N
MW330.81 g/mol
LogP4.55
Rot. Bonds4

About (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol

(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol (PubChem CID 102105033) has the molecular formula C19H19ClO3 and a molecular weight of 330.81 g/mol. Its IUPAC name is (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol
PubChem CID102105033
Molecular FormulaC19H19ClO3
Molecular Weight330.81 g/mol
Exact Mass330.10
IUPAC Name(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol
SMILESCC[C@@H](O)C1=C(Cl)c2ccccc2O[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C19H19ClO3/c1-3-15(21)17-18(20)14-6-4-5-7-16(14)23-19(17)12-8-10-13(22-2)11-9-12/h4-11,15,19,21H,3H2,1-2H3/t15-,19+/m1/s1
InChIKeyONKIVSURWCJDTO-BEFAXECRSA-N
XLogP4.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064301
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 94052387
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 162645614
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
(3E)-3-hexylidene-2-(4-methoxyphenyl)-1,4-benzodioxine
CID 101222170
(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 70356611
methyl 2-(4-chlorophenyl)-4-hydroxy-2H-chromene-3-carboxylate
CID 102581326
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
(9S,11R)-9,11-bis(4-methoxyphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 1109722

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol?
The IUPAC name of (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol (CID 102105033) is (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol.
What is the SMILES notation for (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol?
The canonical SMILES for (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol is CC[C@@H](O)C1=C(Cl)c2ccccc2O[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol?
The InChIKey is ONKIVSURWCJDTO-BEFAXECRSA-N. The full InChI is InChI=1S/C19H19ClO3/c1-3-15(21)17-18(20)14-6-4-5-7-16(14)23-19(17)12-8-10-13(22-2)11-9-12/h4-11,15,19,21H,3H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol?
(1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol has a molecular weight of 330.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-4-chloro-2-(4-methoxyphenyl)-2H-chromen-3-yl]propan-1-ol is sourced from PubChem (CID 102105033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).