2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol

C14H20O — CID 83923027

IUPAC2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
SMILESCC/C=C\C(C)Cc1ccc(O)c(C)c1
InChIInChI=1S/C14H20O/c1-4-5-6-11(2)9-13-7-8-14(15)12(3)10-13/h5-8,10-11,15H,4,9H2,1-3H3/b6-5-
InChIKeyLSNPFLRUKUYYQE-WAYWQWQTSA-N
MW204.31 g/mol
LogP3.85
Rot. Bonds4

About 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol

2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol (PubChem CID 83923027) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
PubChem CID83923027
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
SMILESCC/C=C\C(C)Cc1ccc(O)c(C)c1
InChIInChI=1S/C14H20O/c1-4-5-6-11(2)9-13-7-8-14(15)12(3)10-13/h5-8,10-11,15H,4,9H2,1-3H3/b6-5-
InChIKeyLSNPFLRUKUYYQE-WAYWQWQTSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
CID 58867976
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
1,3,5-trimethyl-2-[(Z)-2-methylhex-3-enyl]benzene
CID 83928267
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
2-tert-butyl-1-ethoxy-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83934383
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
(2S)-3-(4-hydroxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 57173897
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol?
The IUPAC name of 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol (CID 83923027) is 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol.
What is the SMILES notation for 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol?
The canonical SMILES for 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol is CC/C=C\C(C)Cc1ccc(O)c(C)c1.
What is the InChIKey of 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol?
The InChIKey is LSNPFLRUKUYYQE-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20O/c1-4-5-6-11(2)9-13-7-8-14(15)12(3)10-13/h5-8,10-11,15H,4,9H2,1-3H3/b6-5-.
What are the key properties of 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol?
2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol has a molecular weight of 204.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol is sourced from PubChem (CID 83923027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).