3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane

C15H24O2 — CID 158001275

IUPAC3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane
SMILESC.CCCCC/C=C\c1cc(O)cc(OC)c1
InChIInChI=1S/C14H20O2.CH4/c1-3-4-5-6-7-8-12-9-13(15)11-14(10-12)16-2;/h7-11,15H,3-6H2,1-2H3;1H4/b8-7-;
InChIKeyFDTODYLTCCDPOW-CFYXSCKTSA-N
MW236.36 g/mol
LogP4.63
Rot. Bonds6

About 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane

3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane (PubChem CID 158001275) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane.

Molecular Properties

Compound Name3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane
PubChem CID158001275
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane
SMILESC.CCCCC/C=C\c1cc(O)cc(OC)c1
InChIInChI=1S/C14H20O2.CH4/c1-3-4-5-6-7-8-12-9-13(15)11-14(10-12)16-2;/h7-11,15H,3-6H2,1-2H3;1H4/b8-7-;
InChIKeyFDTODYLTCCDPOW-CFYXSCKTSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-dec-1-enyl]-3,5-dimethoxybenzene
CID 102295508
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
4-[(1E,5E)-undeca-1,5-dienyl]phenol
CID 141405483
3-[(E)-hex-1-enyl]phenol
CID 121007177
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
3-(3,5-dimethoxyphenyl)prop-2-en-1-ol
CID 71346140
3-butyl-5-methoxyphenol
CID 12836529
1,3-dimethoxy-5-[(Z)-non-2-enyl]benzene
CID 101129319
(E)-6-(3-methoxyphenyl)hex-5-en-1-ol
CID 14739737

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane?
The IUPAC name of 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane (CID 158001275) is 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane.
What is the SMILES notation for 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane?
The canonical SMILES for 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane is C.CCCCC/C=C\c1cc(O)cc(OC)c1.
What is the InChIKey of 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane?
The InChIKey is FDTODYLTCCDPOW-CFYXSCKTSA-N. The full InChI is InChI=1S/C14H20O2.CH4/c1-3-4-5-6-7-8-12-9-13(15)11-14(10-12)16-2;/h7-11,15H,3-6H2,1-2H3;1H4/b8-7-;.
What are the key properties of 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane?
3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane has a molecular weight of 236.36 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-hept-1-enyl]-5-methoxyphenol;methane is sourced from PubChem (CID 158001275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).