3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol

C15H18O2 — CID 130325377

IUPAC3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol
SMILESC=CC(O)C/C=C(C)/C=C/c1cccc(O)c1
InChIInChI=1S/C15H18O2/c1-3-14(16)10-8-12(2)7-9-13-5-4-6-15(17)11-13/h3-9,11,14,16-17H,1,10H2,2H3/b9-7+,12-8+
InChIKeyYQGBONKRDDQQMM-BRVZEXMBSA-N
MW230.31 g/mol
LogP3.29
Rot. Bonds5

About 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol

3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol (PubChem CID 130325377) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol.

Molecular Properties

Compound Name3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol
PubChem CID130325377
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol
SMILESC=CC(O)C/C=C(C)/C=C/c1cccc(O)c1
InChIInChI=1S/C15H18O2/c1-3-14(16)10-8-12(2)7-9-13-5-4-6-15(17)11-13/h3-9,11,14,16-17H,1,10H2,2H3/b9-7+,12-8+
InChIKeyYQGBONKRDDQQMM-BRVZEXMBSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
6-(3-hydroxyphenyl)-4-oxohex-5-enoic acid
CID 2797782
(E)-3-(3-hydroxyphenyl)prop-2-enethioamide
CID 82668662
(Z)-1-(3-hydroxyphenyl)non-1-en-3-one
CID 92528645
3-ethenyl-4-[2-(3-hydroxyphenyl)ethenyl]phenol
CID 174056763
1-[(1E,3E,8Z)-8,9-difluoro-3,6,10-trimethyl-7-methylideneundeca-1,3,8,10-tetraenyl]-3-fluorobenzene
CID 143875305
3-(2-methoxyethenyl)phenol
CID 175460679
(E)-1-cyclopropyl-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 18329115
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-[(E)-2-bromoethenyl]phenol
CID 74892827
(1E,6E)-1-(2,5-dihydroxyphenyl)-7-(3-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 155518714

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol?
The IUPAC name of 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol (CID 130325377) is 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol.
What is the SMILES notation for 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol?
The canonical SMILES for 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol is C=CC(O)C/C=C(C)/C=C/c1cccc(O)c1.
What is the InChIKey of 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol?
The InChIKey is YQGBONKRDDQQMM-BRVZEXMBSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-14(16)10-8-12(2)7-9-13-5-4-6-15(17)11-13/h3-9,11,14,16-17H,1,10H2,2H3/b9-7+,12-8+.
What are the key properties of 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol?
3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol has a molecular weight of 230.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E)-6-hydroxy-3-methylocta-1,3,7-trienyl]phenol is sourced from PubChem (CID 130325377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).