4-(phenylmethoxymethyl)oxepane

C14H20O2 — CID 151980287

IUPAC4-(phenylmethoxymethyl)oxepane
SMILESc1ccc(COCC2CCCOCC2)cc1
InChIInChI=1S/C14H20O2/c1-2-5-13(6-3-1)11-16-12-14-7-4-9-15-10-8-14/h1-3,5-6,14H,4,7-12H2
InChIKeyUCNKSMBAQSYWBN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.02
Rot. Bonds4

About 4-(phenylmethoxymethyl)oxepane

4-(phenylmethoxymethyl)oxepane (PubChem CID 151980287) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)oxepane.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)oxepane
PubChem CID151980287
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-(phenylmethoxymethyl)oxepane
SMILESc1ccc(COCC2CCCOCC2)cc1
InChIInChI=1S/C14H20O2/c1-2-5-13(6-3-1)11-16-12-14-7-4-9-15-10-8-14/h1-3,5-6,14H,4,7-12H2
InChIKeyUCNKSMBAQSYWBN-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
CID 62382964
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-(oxan-4-ylmethoxymethyl)benzoic acid
CID 55134340
1-(oxan-3-yl)-2-phenylmethoxyethanone
CID 131141063
2-(phenylmethoxymethyl)oxane-3-thiol
CID 14206189
4-phenylmethoxyoxane
CID 66554133

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)oxepane?
The IUPAC name of 4-(phenylmethoxymethyl)oxepane (CID 151980287) is 4-(phenylmethoxymethyl)oxepane.
What is the SMILES notation for 4-(phenylmethoxymethyl)oxepane?
The canonical SMILES for 4-(phenylmethoxymethyl)oxepane is c1ccc(COCC2CCCOCC2)cc1.
What is the InChIKey of 4-(phenylmethoxymethyl)oxepane?
The InChIKey is UCNKSMBAQSYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-5-13(6-3-1)11-16-12-14-7-4-9-15-10-8-14/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 4-(phenylmethoxymethyl)oxepane?
4-(phenylmethoxymethyl)oxepane has a molecular weight of 220.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)oxepane is sourced from PubChem (CID 151980287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).