3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol

C18H26O — CID 67781741

IUPAC3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol
SMILESCC(C)=CCC/C(C)=C/c1ccc(CCCO)cc1
InChIInChI=1S/C18H26O/c1-15(2)6-4-7-16(3)14-18-11-9-17(10-12-18)8-5-13-19/h6,9-12,14,19H,4-5,7-8,13H2,1-3H3/b16-14+
InChIKeyFRLVZBOWRSTTBV-JQIJEIRASA-N
MW258.40 g/mol
LogP4.76
Rot. Bonds7

About 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol

3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol (PubChem CID 67781741) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol
PubChem CID67781741
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol
SMILESCC(C)=CCC/C(C)=C/c1ccc(CCCO)cc1
InChIInChI=1S/C18H26O/c1-15(2)6-4-7-16(3)14-18-11-9-17(10-12-18)8-5-13-19/h6,9-12,14,19H,4-5,7-8,13H2,1-3H3/b16-14+
InChIKeyFRLVZBOWRSTTBV-JQIJEIRASA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.76
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

(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
CID 174622209
[3-(2,6-dimethylhepta-1,5-dienyl)phenyl]methanol
CID 54407939
4-methyl-5-(4-methylphenyl)pent-4-en-1-ol
CID 67332507
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
1-(bromomethyl)-3-[(1E)-2,6-dimethylhepta-1,5-dienyl]benzene
CID 67896351
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
1-(trifluoromethyl)-4-[(5E)-5,6,10-trimethylundeca-5,9-dienyl]benzene
CID 155128314
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 101222163
4-methyl-7-phenylhept-4-en-1-ol
CID 71353866
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol (CID 67781741) is 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol is CC(C)=CCC/C(C)=C/c1ccc(CCCO)cc1.
What is the InChIKey of 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol?
The InChIKey is FRLVZBOWRSTTBV-JQIJEIRASA-N. The full InChI is InChI=1S/C18H26O/c1-15(2)6-4-7-16(3)14-18-11-9-17(10-12-18)8-5-13-19/h6,9-12,14,19H,4-5,7-8,13H2,1-3H3/b16-14+.
What are the key properties of 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol?
3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol is sourced from PubChem (CID 67781741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).