4-methyl-3-[(Z)-pent-2-en-3-yl]phenol

C12H16O — CID 142882435

IUPAC4-methyl-3-[(Z)-pent-2-en-3-yl]phenol
SMILESC/C=C(/CC)c1cc(O)ccc1C
InChIInChI=1S/C12H16O/c1-4-10(5-2)12-8-11(13)7-6-9(12)3/h4,6-8,13H,5H2,1-3H3/b10-4-
InChIKeyOIMVWLPKYSROPF-WMZJFQQLSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds2

About 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol

4-methyl-3-[(Z)-pent-2-en-3-yl]phenol (PubChem CID 142882435) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol.

Molecular Properties

Compound Name4-methyl-3-[(Z)-pent-2-en-3-yl]phenol
PubChem CID142882435
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-methyl-3-[(Z)-pent-2-en-3-yl]phenol
SMILESC/C=C(/CC)c1cc(O)ccc1C
InChIInChI=1S/C12H16O/c1-4-10(5-2)12-8-11(13)7-6-9(12)3/h4,6-8,13H,5H2,1-3H3/b10-4-
InChIKeyOIMVWLPKYSROPF-WMZJFQQLSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-5-[bis(3-methylbut-2-enyl)amino]pent-2-en-3-yl]-4-methylphenol
CID 174162730
3-[(Z)-1-(3,5-dimethylphenyl)-3-hydroxyprop-1-enyl]-4-methylphenol
CID 135043440
3,4-dimethylphenol;hydrofluoride
CID 163210270
4-methyl-3-[(E)-5-methylhept-2-en-3-yl]benzenethiol
CID 156543267
4-methyl-3-prop-1-enylphenol
CID 59722537
5-(5-hydroxy-2-methoxyphenyl)hepta-2,4-dienoic acid
CID 73413850
3-butoxy-4-methylphenol
CID 54016675
5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
CID 130595323
6-methyl-5-[(E)-pent-2-en-3-yl]-1H-benzimidazol-2-amine
CID 166434602
propan-2-yl 5-hydroxy-2-methylbenzoate
CID 126975717
N,N,2-trimethyl-4-[(E)-pent-2-en-3-yl]benzamide
CID 177353705
3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
CID 6172556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol?
The IUPAC name of 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol (CID 142882435) is 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol.
What is the SMILES notation for 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol?
The canonical SMILES for 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol is C/C=C(/CC)c1cc(O)ccc1C.
What is the InChIKey of 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol?
The InChIKey is OIMVWLPKYSROPF-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H16O/c1-4-10(5-2)12-8-11(13)7-6-9(12)3/h4,6-8,13H,5H2,1-3H3/b10-4-.
What are the key properties of 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol?
4-methyl-3-[(Z)-pent-2-en-3-yl]phenol has a molecular weight of 176.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(Z)-pent-2-en-3-yl]phenol is sourced from PubChem (CID 142882435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).