4-[1-(oxepan-4-yl)ethyl]phenol

C14H20O2 — CID 147128517

IUPAC4-[1-(oxepan-4-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)C1CCCOCC1
InChIInChI=1S/C14H20O2/c1-11(12-3-2-9-16-10-8-12)13-4-6-14(15)7-5-13/h4-7,11-12,15H,2-3,8-10H2,1H3
InChIKeyBPTGBKNTFAKWSE-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.31
Rot. Bonds2

About 4-[1-(oxepan-4-yl)ethyl]phenol

4-[1-(oxepan-4-yl)ethyl]phenol (PubChem CID 147128517) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-[1-(oxepan-4-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(oxepan-4-yl)ethyl]phenol
PubChem CID147128517
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-[1-(oxepan-4-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)C1CCCOCC1
InChIInChI=1S/C14H20O2/c1-11(12-3-2-9-16-10-8-12)13-4-6-14(15)7-5-13/h4-7,11-12,15H,2-3,8-10H2,1H3
InChIKeyBPTGBKNTFAKWSE-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(oxan-4-yl)ethyl]aniline
CID 115024237
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
4-(1-piperidin-3-ylethyl)phenol
CID 83908771
3-[1-(oxolan-3-yl)ethyl]phenol
CID 115019111
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270
3-(1-phenylethyl)oxolane
CID 150323599
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
1-(oxepan-4-yl)propan-1-ol
CID 79298601
1-[4-(1-cyclopentylethyl)phenyl]ethanone
CID 115029782

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxepan-4-yl)ethyl]phenol?
The IUPAC name of 4-[1-(oxepan-4-yl)ethyl]phenol (CID 147128517) is 4-[1-(oxepan-4-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(oxepan-4-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(oxepan-4-yl)ethyl]phenol is CC(c1ccc(O)cc1)C1CCCOCC1.
What is the InChIKey of 4-[1-(oxepan-4-yl)ethyl]phenol?
The InChIKey is BPTGBKNTFAKWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(12-3-2-9-16-10-8-12)13-4-6-14(15)7-5-13/h4-7,11-12,15H,2-3,8-10H2,1H3.
What are the key properties of 4-[1-(oxepan-4-yl)ethyl]phenol?
4-[1-(oxepan-4-yl)ethyl]phenol has a molecular weight of 220.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxepan-4-yl)ethyl]phenol is sourced from PubChem (CID 147128517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).