2-(4-methoxyphenyl)-2-methylbenzo[h]chromene

C21H18O2 — CID 15650046

IUPAC2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
SMILESCOc1ccc(C2(C)C=Cc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C21H18O2/c1-21(17-9-11-18(22-2)12-10-17)14-13-16-8-7-15-5-3-4-6-19(15)20(16)23-21/h3-14H,1-2H3
InChIKeyLAVMHNNJDVSBAL-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.17
Rot. Bonds2

About 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene

2-(4-methoxyphenyl)-2-methylbenzo[h]chromene (PubChem CID 15650046) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
PubChem CID15650046
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-(4-methoxyphenyl)-2-methylbenzo[h]chromene
SMILESCOc1ccc(C2(C)C=Cc3ccc4ccccc4c3O2)cc1
InChIInChI=1S/C21H18O2/c1-21(17-9-11-18(22-2)12-10-17)14-13-16-8-7-15-5-3-4-6-19(15)20(16)23-21/h3-14H,1-2H3
InChIKeyLAVMHNNJDVSBAL-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethoxybenzo[h]chromene
CID 141176561
2-naphthalen-1-yl-2-naphthalen-2-ylbenzo[h]chromene
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CID 10849806
4,4,17,17-tetrakis(4-methoxyphenyl)-3,18-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8,10,12,15-heptaene
CID 4316919
N,N-diphenyl-4-(2-phenylbenzo[h]chromen-2-yl)aniline
CID 70344376
7-methoxyspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,2'-benzo[h]chromene]
CID 631792
2,2-bis(4-methoxyphenyl)-4-phenylbenzo[h]chromene
CID 11730383
4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine
CID 22624741
CID 10792750
CID 10792750
spiro[benzo[h]chromene-2,3'-pyrrolidine]
CID 82046003
10-(4-methoxyphenyl)-25,25-dimethyl-10-phenyl-9-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8(13),11,15(24),16,18,20,22-undecaene
CID 22717430
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene?
The IUPAC name of 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene (CID 15650046) is 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene?
The canonical SMILES for 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene is COc1ccc(C2(C)C=Cc3ccc4ccccc4c3O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene?
The InChIKey is LAVMHNNJDVSBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-21(17-9-11-18(22-2)12-10-17)14-13-16-8-7-15-5-3-4-6-19(15)20(16)23-21/h3-14H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene?
2-(4-methoxyphenyl)-2-methylbenzo[h]chromene has a molecular weight of 302.37 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-methylbenzo[h]chromene is sourced from PubChem (CID 15650046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).