1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol

C23H38O2 — CID 155122599

IUPAC1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
SMILESC/C=C/c1ccccc1OCC(O)CCCCCCCCCCCC
InChIInChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(24)20-25-23-19-15-14-17-21(23)16-4-2/h4,14-17,19,22,24H,3,5-13,18,20H2,1-2H3/b16-4+
InChIKeyNHSWHOWAPVCYFF-AYSLTRBKSA-N
MW346.55 g/mol
LogP6.77
Rot. Bonds15

About 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol

1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol (PubChem CID 155122599) has the molecular formula C23H38O2 and a molecular weight of 346.55 g/mol. Its IUPAC name is 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol.

Molecular Properties

Compound Name1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
PubChem CID155122599
Molecular FormulaC23H38O2
Molecular Weight346.55 g/mol
Exact Mass346.29
IUPAC Name1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
SMILESC/C=C/c1ccccc1OCC(O)CCCCCCCCCCCC
InChIInChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(24)20-25-23-19-15-14-17-21(23)16-4-2/h4,14-17,19,22,24H,3,5-13,18,20H2,1-2H3/b16-4+
InChIKeyNHSWHOWAPVCYFF-AYSLTRBKSA-N
XLogP6.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.55
LogP ≤ 56.77
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-[1-[3-[2-(2-hydroxytetradecoxy)-3-[2-[(E)-prop-1-enyl]phenoxy]propoxy]phenoxy]-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-yl]oxytetradecan-2-ol
CID 155122482
3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 66896080
[2-(2-hydroxydodecoxy)phenyl]-phenylmethanone
CID 54446006
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
4-pentan-2-yloxybutane-1,3-diol;3-(2-prop-1-enylphenoxy)propane-1,2-diol
CID 158325661
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
2-[2-(3-oxopropyl)octoxy]benzaldehyde
CID 57292995
1-ethenyl-2-heptadecoxybenzene
CID 139672731

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol?
The IUPAC name of 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol (CID 155122599) is 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol.
What is the SMILES notation for 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol?
The canonical SMILES for 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol is C/C=C/c1ccccc1OCC(O)CCCCCCCCCCCC.
What is the InChIKey of 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol?
The InChIKey is NHSWHOWAPVCYFF-AYSLTRBKSA-N. The full InChI is InChI=1S/C23H38O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(24)20-25-23-19-15-14-17-21(23)16-4-2/h4,14-17,19,22,24H,3,5-13,18,20H2,1-2H3/b16-4+.
What are the key properties of 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol?
1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol has a molecular weight of 346.55 g/mol, XLogP of 6.77, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol is sourced from PubChem (CID 155122599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).