4-(4-propylphenyl)oxepan-4-ol

C15H22O2 — CID 65080658

IUPAC4-(4-propylphenyl)oxepan-4-ol
SMILESCCCc1ccc(C2(O)CCCOCC2)cc1
InChIInChI=1S/C15H22O2/c1-2-4-13-5-7-14(8-6-13)15(16)9-3-11-17-12-10-15/h5-8,16H,2-4,9-12H2,1H3
InChIKeyWTSNGBPRUNYYIB-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-propylphenyl)oxepan-4-ol

4-(4-propylphenyl)oxepan-4-ol (PubChem CID 65080658) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(4-propylphenyl)oxepan-4-ol.

Molecular Properties

Compound Name4-(4-propylphenyl)oxepan-4-ol
PubChem CID65080658
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(4-propylphenyl)oxepan-4-ol
SMILESCCCc1ccc(C2(O)CCCOCC2)cc1
InChIInChI=1S/C15H22O2/c1-2-4-13-5-7-14(8-6-13)15(16)9-3-11-17-12-10-15/h5-8,16H,2-4,9-12H2,1H3
InChIKeyWTSNGBPRUNYYIB-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
4-(4-ethylphenyl)oxan-4-ol
CID 63222829
8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
CID 145005903
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797
4-(4-iodophenyl)oxepan-4-ol
CID 66911955
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
4-(4-propan-2-ylphenyl)oxepan-4-ol
CID 65081084
4-(4-phenylphenyl)oxepan-4-ol
CID 65456076
4-(3,4-difluorophenyl)oxepan-4-ol
CID 65079366
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
3-(4-propylphenyl)thietan-3-ol
CID 130914921

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)oxepan-4-ol?
The IUPAC name of 4-(4-propylphenyl)oxepan-4-ol (CID 65080658) is 4-(4-propylphenyl)oxepan-4-ol.
What is the SMILES notation for 4-(4-propylphenyl)oxepan-4-ol?
The canonical SMILES for 4-(4-propylphenyl)oxepan-4-ol is CCCc1ccc(C2(O)CCCOCC2)cc1.
What is the InChIKey of 4-(4-propylphenyl)oxepan-4-ol?
The InChIKey is WTSNGBPRUNYYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-4-13-5-7-14(8-6-13)15(16)9-3-11-17-12-10-15/h5-8,16H,2-4,9-12H2,1H3.
What are the key properties of 4-(4-propylphenyl)oxepan-4-ol?
4-(4-propylphenyl)oxepan-4-ol has a molecular weight of 234.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)oxepan-4-ol is sourced from PubChem (CID 65080658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).