(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene

C19H20O2 — CID 14593673

IUPAC(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
SMILESC1=CC(OCc2ccccc2)CC1OCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-7-16(8-4-1)14-20-18-11-12-19(13-18)21-15-17-9-5-2-6-10-17/h1-12,18-19H,13-15H2
InChIKeyIVAMNULJENVTRG-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.12
Rot. Bonds6

About (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene

(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene (PubChem CID 14593673) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene.

Molecular Properties

Compound Name(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
PubChem CID14593673
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
SMILESC1=CC(OCc2ccccc2)CC1OCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-7-16(8-4-1)14-20-18-11-12-19(13-18)21-15-17-9-5-2-6-10-17/h1-12,18-19H,13-15H2
InChIKeyIVAMNULJENVTRG-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
CID 155424697
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
3-phenylmethoxy-1,2,3,6-tetrahydropyridine
CID 101158564
3-phenylmethoxycycloheptene
CID 12512694
(3aR,5R,8R,8aS)-8-chloro-5-phenylmethoxy-3,3a,4,5,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 14919491
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(1S,2R,3R,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10025814
(1S,3R,4S)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 70901451
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene?
The IUPAC name of (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene (CID 14593673) is (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene.
What is the SMILES notation for (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene?
The canonical SMILES for (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene is C1=CC(OCc2ccccc2)CC1OCc1ccccc1.
What is the InChIKey of (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene?
The InChIKey is IVAMNULJENVTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-7-16(8-4-1)14-20-18-11-12-19(13-18)21-15-17-9-5-2-6-10-17/h1-12,18-19H,13-15H2.
What are the key properties of (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene?
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene has a molecular weight of 280.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene is sourced from PubChem (CID 14593673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).