2-(3-prop-2-enylhexa-2,5-dienyl)phenol

C15H18O — CID 70595420

IUPAC2-(3-prop-2-enylhexa-2,5-dienyl)phenol
SMILESC=CCC(=CCc1ccccc1O)CC=C
InChIInChI=1S/C15H18O/c1-3-7-13(8-4-2)11-12-14-9-5-6-10-15(14)16/h3-6,9-11,16H,1-2,7-8,12H2
InChIKeyRRKVSZRYVCIVFI-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.01
Rot. Bonds6

About 2-(3-prop-2-enylhexa-2,5-dienyl)phenol

2-(3-prop-2-enylhexa-2,5-dienyl)phenol (PubChem CID 70595420) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-prop-2-enylhexa-2,5-dienyl)phenol.

Molecular Properties

Compound Name2-(3-prop-2-enylhexa-2,5-dienyl)phenol
PubChem CID70595420
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-(3-prop-2-enylhexa-2,5-dienyl)phenol
SMILESC=CCC(=CCc1ccccc1O)CC=C
InChIInChI=1S/C15H18O/c1-3-7-13(8-4-2)11-12-14-9-5-6-10-15(14)16/h3-6,9-11,16H,1-2,7-8,12H2
InChIKeyRRKVSZRYVCIVFI-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.01
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

boric acid;2-prop-2-enylphenol
CID 70457137
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
2-tert-butylphenol;2-prop-2-enylphenol
CID 88688446
sodium;ethoxyethane;hydride;2-prop-2-enylphenol
CID 173000215
2-[4-hydroxyimino-3-(hydroxyiminomethyl)but-2-enyl]phenol
CID 173349248
carbanide;ethane;2-[(E)-prop-1-enyl]phenol;2-prop-2-enylphenol;bis(yttrium)
CID 162206611
2,4-bis(2-hydroxyphenyl)but-2-enal
CID 142713129
morpholine;2-prop-2-enylphenol
CID 174570096
2-(2-hydroxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 71864379
2-(2-iminoethyl)phenol
CID 90112038

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
The IUPAC name of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol (CID 70595420) is 2-(3-prop-2-enylhexa-2,5-dienyl)phenol.
What is the SMILES notation for 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
The canonical SMILES for 2-(3-prop-2-enylhexa-2,5-dienyl)phenol is C=CCC(=CCc1ccccc1O)CC=C.
What is the InChIKey of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
The InChIKey is RRKVSZRYVCIVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-7-13(8-4-2)11-12-14-9-5-6-10-15(14)16/h3-6,9-11,16H,1-2,7-8,12H2.
What are the key properties of 2-(3-prop-2-enylhexa-2,5-dienyl)phenol?
2-(3-prop-2-enylhexa-2,5-dienyl)phenol has a molecular weight of 214.31 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enylhexa-2,5-dienyl)phenol is sourced from PubChem (CID 70595420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).