6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene

C27H26O — CID 145465308

IUPAC6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene
SMILESC=C(/C=C(/C)c1ccccc1C)c1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C27H26O/c1-19-7-4-5-9-26(19)21(3)17-20(2)22-10-12-23(13-11-22)24-14-15-27-25(18-24)8-6-16-28-27/h4-5,7,9-15,17-18H,2,6,8,16H2,1,3H3/b21-17-
InChIKeyCAFYPIMGDSAMRD-FXBPSFAMSA-N
MW366.50 g/mol
LogP7.10
Rot. Bonds4

About 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene

6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene (PubChem CID 145465308) has the molecular formula C27H26O and a molecular weight of 366.50 g/mol. Its IUPAC name is 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene
PubChem CID145465308
Molecular FormulaC27H26O
Molecular Weight366.50 g/mol
Exact Mass366.20
IUPAC Name6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene
SMILESC=C(/C=C(/C)c1ccccc1C)c1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C27H26O/c1-19-7-4-5-9-26(19)21(3)17-20(2)22-10-12-23(13-11-22)24-14-15-27-25(18-24)8-6-16-28-27/h4-5,7,9-15,17-18H,2,6,8,16H2,1,3H3/b21-17-
InChIKeyCAFYPIMGDSAMRD-FXBPSFAMSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
acetaldehyde;ethane;1-methyl-2-[(2Z)-4-[4-(3-methylphenyl)phenyl]penta-2,4-dien-2-yl]benzene
CID 145465538
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 90355177
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274
1-[4-[4-[(3Z)-5-methyl-4-(2-methylphenyl)hexa-1,3,5-trien-2-yl]phenyl]phenyl]ethanone
CID 145465219
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene (CID 145465308) is 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene is C=C(/C=C(/C)c1ccccc1C)c1ccc(-c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is CAFYPIMGDSAMRD-FXBPSFAMSA-N. The full InChI is InChI=1S/C27H26O/c1-19-7-4-5-9-26(19)21(3)17-20(2)22-10-12-23(13-11-22)24-14-15-27-25(18-24)8-6-16-28-27/h4-5,7,9-15,17-18H,2,6,8,16H2,1,3H3/b21-17-.
What are the key properties of 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene?
6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 366.50 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3Z)-4-(2-methylphenyl)penta-1,3-dien-2-yl]phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 145465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).