6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene

C23H19ClO2 — CID 162399758

IUPAC6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene
SMILESCOc1ccc(C2=C(c3ccccc3)COc3c(C)cc(Cl)cc32)cc1
InChIInChI=1S/C23H19ClO2/c1-15-12-18(24)13-20-22(17-8-10-19(25-2)11-9-17)21(14-26-23(15)20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChIKeyZLWJFUUCJKTRGP-UHFFFAOYSA-N
MW362.86 g/mol
LogP6.01
Rot. Bonds3

About 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene

6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene (PubChem CID 162399758) has the molecular formula C23H19ClO2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene.

Molecular Properties

Compound Name6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene
PubChem CID162399758
Molecular FormulaC23H19ClO2
Molecular Weight362.86 g/mol
Exact Mass362.11
IUPAC Name6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene
SMILESCOc1ccc(C2=C(c3ccccc3)COc3c(C)cc(Cl)cc32)cc1
InChIInChI=1S/C23H19ClO2/c1-15-12-18(24)13-20-22(17-8-10-19(25-2)11-9-17)21(14-26-23(15)20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3
InChIKeyZLWJFUUCJKTRGP-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
CID 160973980
21-benzyl-11-methoxy-3,4-bis(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-21-ol
CID 67957417
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone
CID 134851549
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
4-(7-methyl-3-phenyl-2H-chromen-4-yl)phenol
CID 159502162
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene?
The IUPAC name of 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene (CID 162399758) is 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene.
What is the SMILES notation for 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene?
The canonical SMILES for 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene is COc1ccc(C2=C(c3ccccc3)COc3c(C)cc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene?
The InChIKey is ZLWJFUUCJKTRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO2/c1-15-12-18(24)13-20-22(17-8-10-19(25-2)11-9-17)21(14-26-23(15)20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3.
What are the key properties of 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene?
6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene has a molecular weight of 362.86 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methoxyphenyl)-8-methyl-3-phenyl-2H-chromene is sourced from PubChem (CID 162399758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).