1-ethenyl-3-methyl-3-phenylbenzo[f]chromene

C22H18O — CID 102490161

IUPAC1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
SMILESC=CC1=CC(C)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C22H18O/c1-3-16-15-22(2,18-10-5-4-6-11-18)23-20-14-13-17-9-7-8-12-19(17)21(16)20/h3-15H,1H2,2H3
InChIKeyQMLZADSNOUXQDA-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.72
Rot. Bonds2

About 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene

1-ethenyl-3-methyl-3-phenylbenzo[f]chromene (PubChem CID 102490161) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene.

Molecular Properties

Compound Name1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
PubChem CID102490161
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
SMILESC=CC1=CC(C)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C22H18O/c1-3-16-15-22(2,18-10-5-4-6-11-18)23-20-14-13-17-9-7-8-12-19(17)21(16)20/h3-15H,1H2,2H3
InChIKeyQMLZADSNOUXQDA-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-phenylbenzo[f]chromene
CID 10849806
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
CID 139042115
14,14-dimethyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 59790961
(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate
CID 102165607
2,2-dimethyl-1,3-dihydrobenzo[f][1,4]benzoxazine
CID 84621824
spiro[12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene-13,9'-fluorene]
CID 16719393
4,4,5,5-tetraphenyl-2-[1-[2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3,2-dioxaphospholane
CID 58202650
hydron;13,13'-spirobi[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 134904349
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
3,3-dimethyl-1-phenyl-1,2-dihydrobenzo[f][1,3]benzoxazine
CID 73001495
13-methyl-12,14-dioxa-13-gallapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 134906119

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene?
The IUPAC name of 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene (CID 102490161) is 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene.
What is the SMILES notation for 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene?
The canonical SMILES for 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene is C=CC1=CC(C)(c2ccccc2)Oc2ccc3ccccc3c21.
What is the InChIKey of 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene?
The InChIKey is QMLZADSNOUXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-3-16-15-22(2,18-10-5-4-6-11-18)23-20-14-13-17-9-7-8-12-19(17)21(16)20/h3-15H,1H2,2H3.
What are the key properties of 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene?
1-ethenyl-3-methyl-3-phenylbenzo[f]chromene has a molecular weight of 298.39 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-3-phenylbenzo[f]chromene is sourced from PubChem (CID 102490161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).