3-phenylmethoxybut-2-en-2-yloxymethylbenzene

C18H20O2 — CID 86006666

IUPAC3-phenylmethoxybut-2-en-2-yloxymethylbenzene
SMILESCC(OCc1ccccc1)=C(C)OCc1ccccc1
InChIInChI=1S/C18H20O2/c1-15(19-13-17-9-5-3-6-10-17)16(2)20-14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyYBGUABOGTMVKTM-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.67
Rot. Bonds6

About 3-phenylmethoxybut-2-en-2-yloxymethylbenzene

3-phenylmethoxybut-2-en-2-yloxymethylbenzene (PubChem CID 86006666) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-phenylmethoxybut-2-en-2-yloxymethylbenzene.

Molecular Properties

Compound Name3-phenylmethoxybut-2-en-2-yloxymethylbenzene
PubChem CID86006666
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-phenylmethoxybut-2-en-2-yloxymethylbenzene
SMILESCC(OCc1ccccc1)=C(C)OCc1ccccc1
InChIInChI=1S/C18H20O2/c1-15(19-13-17-9-5-3-6-10-17)16(2)20-14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyYBGUABOGTMVKTM-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-phenylmethoxybut-2-en-2-yl]methanimine
CID 142244740
benzyl acetate
CID 8785
O-benzyl ethanethioate;hydrochloride
CID 140957923
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl propanoate;hydrochloride
CID 140986165
benzyl acetate;formonitrile
CID 175329925
phenylmethoxycarbonyl acetate
CID 88811715
benzyl acetate;carbon monoxide;chromium
CID 11196913
benzyl 2-acetyl-3-oxobutanoate
CID 15496135
acetic acid;phenylmethoxymethylbenzene
CID 175214238
CID 174906307
CID 174906307

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxybut-2-en-2-yloxymethylbenzene?
The IUPAC name of 3-phenylmethoxybut-2-en-2-yloxymethylbenzene (CID 86006666) is 3-phenylmethoxybut-2-en-2-yloxymethylbenzene.
What is the SMILES notation for 3-phenylmethoxybut-2-en-2-yloxymethylbenzene?
The canonical SMILES for 3-phenylmethoxybut-2-en-2-yloxymethylbenzene is CC(OCc1ccccc1)=C(C)OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxybut-2-en-2-yloxymethylbenzene?
The InChIKey is YBGUABOGTMVKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-15(19-13-17-9-5-3-6-10-17)16(2)20-14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-phenylmethoxybut-2-en-2-yloxymethylbenzene?
3-phenylmethoxybut-2-en-2-yloxymethylbenzene has a molecular weight of 268.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxybut-2-en-2-yloxymethylbenzene is sourced from PubChem (CID 86006666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).