4-(4-methoxyphenyl)oxepan-4-ol

C13H18O3 — CID 65079083

IUPAC4-(4-methoxyphenyl)oxepan-4-ol
SMILESCOc1ccc(C2(O)CCCOCC2)cc1
InChIInChI=1S/C13H18O3/c1-15-12-5-3-11(4-6-12)13(14)7-2-9-16-10-8-13/h3-6,14H,2,7-10H2,1H3
InChIKeyJLUREJXKZBRUOA-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.08
Rot. Bonds2

About 4-(4-methoxyphenyl)oxepan-4-ol

4-(4-methoxyphenyl)oxepan-4-ol (PubChem CID 65079083) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)oxepan-4-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)oxepan-4-ol
PubChem CID65079083
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-(4-methoxyphenyl)oxepan-4-ol
SMILESCOc1ccc(C2(O)CCCOCC2)cc1
InChIInChI=1S/C13H18O3/c1-15-12-5-3-11(4-6-12)13(14)7-2-9-16-10-8-13/h3-6,14H,2,7-10H2,1H3
InChIKeyJLUREJXKZBRUOA-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-iodophenyl)oxepan-4-ol
CID 66911955
4-(4-propan-2-ylphenyl)oxepan-4-ol
CID 65081084
8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
4-(4-phenylphenyl)oxepan-4-ol
CID 65456076
8-(4-methoxyphenyl)spiro[4.5]decan-8-ol
CID 114819307
3-(4-methoxyphenyl)thian-3-ol
CID 83691900
4-(3,4-difluorophenyl)oxepan-4-ol
CID 65079366
ethyl formate;1-(4-methoxyphenyl)cyclobutan-1-ol
CID 174816439
(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
CID 102232708
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794519
4-tert-butyl-1-(4-methoxyphenyl)cycloheptan-1-ol
CID 65094719

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)oxepan-4-ol?
The IUPAC name of 4-(4-methoxyphenyl)oxepan-4-ol (CID 65079083) is 4-(4-methoxyphenyl)oxepan-4-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)oxepan-4-ol?
The canonical SMILES for 4-(4-methoxyphenyl)oxepan-4-ol is COc1ccc(C2(O)CCCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)oxepan-4-ol?
The InChIKey is JLUREJXKZBRUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-12-5-3-11(4-6-12)13(14)7-2-9-16-10-8-13/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)oxepan-4-ol?
4-(4-methoxyphenyl)oxepan-4-ol has a molecular weight of 222.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)oxepan-4-ol is sourced from PubChem (CID 65079083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).