2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol

C16H18O2 — CID 144859398

IUPAC2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
SMILESC=C/C=C(\C=C)COc1cccc(C(=C)CO)c1
InChIInChI=1S/C16H18O2/c1-4-7-14(5-2)12-18-16-9-6-8-15(10-16)13(3)11-17/h4-10,17H,1-3,11-12H2/b14-7+
InChIKeyOUWTVHBAVOHHCS-VGOFMYFVSA-N
MW242.32 g/mol
LogP3.37
Rot. Bonds7

About 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol

2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol (PubChem CID 144859398) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
PubChem CID144859398
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol
SMILESC=C/C=C(\C=C)COc1cccc(C(=C)CO)c1
InChIInChI=1S/C16H18O2/c1-4-7-14(5-2)12-18-16-9-6-8-15(10-16)13(3)11-17/h4-10,17H,1-3,11-12H2/b14-7+
InChIKeyOUWTVHBAVOHHCS-VGOFMYFVSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[(2E)-2-ethenylpenta-2,4-dienoxy]benzene
CID 145470341
[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]boronic acid
CID 143867943
2-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
CID 118140792
2-(3-propan-2-yloxyphenyl)prop-2-en-1-ol
CID 118140907
1-buta-1,3-dien-2-yl-3-ethoxybenzene
CID 123164385
ethane;3-[(2E)-2-ethenylpenta-2,4-dienoxy]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 145470212
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine
CID 144739359
1-[3-(4,4-dichloro-5,5,5-trifluoropent-1-en-2-yl)phenoxy]propan-2-one
CID 139616502
[4-[(2E)-2-ethenylpenta-2,4-dienoxy]-6-methoxy-2-methyl-3-pyridinyl]methanol
CID 144957919
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
4-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-methoxybenzaldehyde
CID 142940624

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
The IUPAC name of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol (CID 144859398) is 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
The canonical SMILES for 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol is C=C/C=C(\C=C)COc1cccc(C(=C)CO)c1.
What is the InChIKey of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
The InChIKey is OUWTVHBAVOHHCS-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-7-14(5-2)12-18-16-9-6-8-15(10-16)13(3)11-17/h4-10,17H,1-3,11-12H2/b14-7+.
What are the key properties of 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol?
2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2E)-2-ethenylpenta-2,4-dienoxy]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 144859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).