(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol

C18H20O — CID 59925983

IUPAC(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
SMILESC/C(=C/c1ccccc1C)CC(O)c1ccccc1
InChIInChI=1S/C18H20O/c1-14(12-17-11-7-6-8-15(17)2)13-18(19)16-9-4-3-5-10-16/h3-12,18-19H,13H2,1-2H3/b14-12-
InChIKeyULPBEVBPTURTQT-OWBHPGMISA-N
MW252.36 g/mol
LogP4.52
Rot. Bonds4

About (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol

(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol (PubChem CID 59925983) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
PubChem CID59925983
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol
SMILESC/C(=C/c1ccccc1C)CC(O)c1ccccc1
InChIInChI=1S/C18H20O/c1-14(12-17-11-7-6-8-15(17)2)13-18(19)16-9-4-3-5-10-16/h3-12,18-19H,13H2,1-2H3/b14-12-
InChIKeyULPBEVBPTURTQT-OWBHPGMISA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
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benzene;ethane;1-methyl-2-(2-methylprop-1-enyl)benzene
CID 144639766
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
3-methyl-1,5-diphenylhexa-3,4-dien-1-ol
CID 102434013
2-amino-1-phenylethanol;ethane
CID 91425169
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
[(Z)-1-iodo-2-(2-methylphenyl)ethenyl]-trimethylsilane
CID 102521364
2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
CID 122222813
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol?
The IUPAC name of (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol (CID 59925983) is (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol is C/C(=C/c1ccccc1C)CC(O)c1ccccc1.
What is the InChIKey of (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol?
The InChIKey is ULPBEVBPTURTQT-OWBHPGMISA-N. The full InChI is InChI=1S/C18H20O/c1-14(12-17-11-7-6-8-15(17)2)13-18(19)16-9-4-3-5-10-16/h3-12,18-19H,13H2,1-2H3/b14-12-.
What are the key properties of (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol?
(Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol has a molecular weight of 252.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-(2-methylphenyl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 59925983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).