3-methyl-1,5-diphenylhexa-3,4-dien-1-ol

C19H20O — CID 102434013

IUPAC3-methyl-1,5-diphenylhexa-3,4-dien-1-ol
SMILESCC(=C=C(C)c1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C19H20O/c1-15(13-16(2)17-9-5-3-6-10-17)14-19(20)18-11-7-4-8-12-18/h3-12,19-20H,14H2,1-2H3
InChIKeyXGAKDAUNFLOVIQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.76
Rot. Bonds4

About 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol

3-methyl-1,5-diphenylhexa-3,4-dien-1-ol (PubChem CID 102434013) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol.

Molecular Properties

Compound Name3-methyl-1,5-diphenylhexa-3,4-dien-1-ol
PubChem CID102434013
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name3-methyl-1,5-diphenylhexa-3,4-dien-1-ol
SMILESCC(=C=C(C)c1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C19H20O/c1-15(13-16(2)17-9-5-3-6-10-17)14-19(20)18-11-7-4-8-12-18/h3-12,19-20H,14H2,1-2H3
InChIKeyXGAKDAUNFLOVIQ-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
4-methylpenta-2,3-dien-2-ylbenzene
CID 10725633
(5-hydroxy-3-oxo-5-phenylpentan-2-yl) acetate
CID 101451828
2-amino-1-phenylethanol;ethane
CID 91425169
(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
CID 59925983
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
1-phenylpropan-1-ol;hydrate
CID 156782934
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
methyl 5-hydroxy-3-oxo-5-phenylpentanoate
CID 11020460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol?
The IUPAC name of 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol (CID 102434013) is 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol.
What is the SMILES notation for 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol?
The canonical SMILES for 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol is CC(=C=C(C)c1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol?
The InChIKey is XGAKDAUNFLOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-15(13-16(2)17-9-5-3-6-10-17)14-19(20)18-11-7-4-8-12-18/h3-12,19-20H,14H2,1-2H3.
What are the key properties of 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol?
3-methyl-1,5-diphenylhexa-3,4-dien-1-ol has a molecular weight of 264.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenylhexa-3,4-dien-1-ol is sourced from PubChem (CID 102434013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).