(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol

C17H22O — CID 130384446

IUPAC(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol
SMILESC=C(C)/C=C/c1ccc(C)c(/C=C\CCCO)c1
InChIInChI=1S/C17H22O/c1-14(2)8-10-16-11-9-15(3)17(13-16)7-5-4-6-12-18/h5,7-11,13,18H,1,4,6,12H2,2-3H3/b7-5-,10-8+
InChIKeyZNCYLPSQYLBGSQ-SUTBWYPISA-N
MW242.36 g/mol
LogP4.37
Rot. Bonds6

About (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol

(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol (PubChem CID 130384446) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol
PubChem CID130384446
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol
SMILESC=C(C)/C=C/c1ccc(C)c(/C=C\CCCO)c1
InChIInChI=1S/C17H22O/c1-14(2)8-10-16-11-9-15(3)17(13-16)7-5-4-6-12-18/h5,7-11,13,18H,1,4,6,12H2,2-3H3/b7-5-,10-8+
InChIKeyZNCYLPSQYLBGSQ-SUTBWYPISA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-enyl)-4-methylphenol
CID 170476164
(E)-6-(4-methylphenyl)hex-5-en-1-ol
CID 14739740
(E)-5-naphthalen-2-ylpent-4-en-1-ol
CID 11252836
2-ethyl-6-[(1E)-3-methylbuta-1,3-dienyl]naphthalene
CID 145390100
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
(E)-5-(4-bromophenyl)pent-4-en-1-ol
CID 125476548
[2-methyl-5-(4-sulfanylbut-1-enyl)phenyl]methanol
CID 170478236
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
4-[(1E)-3-methylbuta-1,3-dienyl]benzenethiol
CID 142934935
3-(4-aminobut-1-enyl)-4-methylphenol
CID 170486573
(E)-6-(5-tert-butyl-2-methylphenyl)hex-5-enoic acid
CID 95466871
2-[(E)-5-hydroxypent-1-enyl]-4-methoxyphenol
CID 59969522

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol?
The IUPAC name of (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol (CID 130384446) is (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol.
What is the SMILES notation for (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol?
The canonical SMILES for (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol is C=C(C)/C=C/c1ccc(C)c(/C=C\CCCO)c1.
What is the InChIKey of (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol?
The InChIKey is ZNCYLPSQYLBGSQ-SUTBWYPISA-N. The full InChI is InChI=1S/C17H22O/c1-14(2)8-10-16-11-9-15(3)17(13-16)7-5-4-6-12-18/h5,7-11,13,18H,1,4,6,12H2,2-3H3/b7-5-,10-8+.
What are the key properties of (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol?
(Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol has a molecular weight of 242.36 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[2-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]phenyl]pent-4-en-1-ol is sourced from PubChem (CID 130384446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).