4-(4-phenylphenyl)oxepan-4-ol

C18H20O2 — CID 65456076

IUPAC4-(4-phenylphenyl)oxepan-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCCOCC1
InChIInChI=1S/C18H20O2/c19-18(11-4-13-20-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-14H2
InChIKeyNTXQSOCBWNQUJR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds2

About 4-(4-phenylphenyl)oxepan-4-ol

4-(4-phenylphenyl)oxepan-4-ol (PubChem CID 65456076) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-phenylphenyl)oxepan-4-ol.

Molecular Properties

Compound Name4-(4-phenylphenyl)oxepan-4-ol
PubChem CID65456076
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(4-phenylphenyl)oxepan-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCCOCC1
InChIInChI=1S/C18H20O2/c19-18(11-4-13-20-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-14H2
InChIKeyNTXQSOCBWNQUJR-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)oxepan-4-ol?
The IUPAC name of 4-(4-phenylphenyl)oxepan-4-ol (CID 65456076) is 4-(4-phenylphenyl)oxepan-4-ol.
What is the SMILES notation for 4-(4-phenylphenyl)oxepan-4-ol?
The canonical SMILES for 4-(4-phenylphenyl)oxepan-4-ol is OC1(c2ccc(-c3ccccc3)cc2)CCCOCC1.
What is the InChIKey of 4-(4-phenylphenyl)oxepan-4-ol?
The InChIKey is NTXQSOCBWNQUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c19-18(11-4-13-20-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19H,4,11-14H2.
What are the key properties of 4-(4-phenylphenyl)oxepan-4-ol?
4-(4-phenylphenyl)oxepan-4-ol has a molecular weight of 268.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)oxepan-4-ol is sourced from PubChem (CID 65456076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).