3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol

C18H20O2 — CID 135043440

IUPAC3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol
SMILESCc1cc(C)cc(/C(=C/CO)c2cc(O)ccc2C)c1
InChIInChI=1S/C18H20O2/c1-12-8-13(2)10-15(9-12)17(6-7-19)18-11-16(20)5-4-14(18)3/h4-6,8-11,19-20H,7H2,1-3H3/b17-6-
InChIKeyFLJFTTQWZJUEQV-FMQZQXMHSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds3

About 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol

3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol (PubChem CID 135043440) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol.

Molecular Properties

Compound Name3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol
PubChem CID135043440
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol
SMILESCc1cc(C)cc(/C(=C/CO)c2cc(O)ccc2C)c1
InChIInChI=1S/C18H20O2/c1-12-8-13(2)10-15(9-12)17(6-7-19)18-11-16(20)5-4-14(18)3/h4-6,8-11,19-20H,7H2,1-3H3/b17-6-
InChIKeyFLJFTTQWZJUEQV-FMQZQXMHSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-[(Z)-pent-2-en-3-yl]phenol
CID 142882435
4-[(Z)-1-(2,4-dimethylphenyl)pent-1-enyl]phenol
CID 169239333
4-[(Z)-1-(4-methoxy-2-methylphenyl)but-1-enyl]phenol
CID 164922919
4-methyl-3-(2,2,2-trifluoroethyl)phenol
CID 16756490
3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol
CID 174162730
3,4-dimethylphenol;hydrofluoride
CID 163210270
(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 67145582
4-methyl-3-prop-1-enylphenol
CID 59722537
3-butoxy-4-methylphenol
CID 54016675
CID 140811752
CID 140811752
5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
CID 130595323
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol?
The IUPAC name of 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol (CID 135043440) is 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol.
What is the SMILES notation for 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol?
The canonical SMILES for 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol is Cc1cc(C)cc(/C(=C/CO)c2cc(O)ccc2C)c1.
What is the InChIKey of 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol?
The InChIKey is FLJFTTQWZJUEQV-FMQZQXMHSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-8-13(2)10-15(9-12)17(6-7-19)18-11-16(20)5-4-14(18)3/h4-6,8-11,19-20H,7H2,1-3H3/b17-6-.
What are the key properties of 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol?
3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol has a molecular weight of 268.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol is sourced from PubChem (CID 135043440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).