(3-phenyloxan-3-yl)methanol

C12H16O2 — CID 168870348

IUPAC(3-phenyloxan-3-yl)methanol
SMILESOCC1(c2ccccc2)CCCOC1
InChIInChI=1S/C12H16O2/c13-9-12(7-4-8-14-10-12)11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyZQGCNVIOBKWUAQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.73
Rot. Bonds2

About (3-phenyloxan-3-yl)methanol

(3-phenyloxan-3-yl)methanol (PubChem CID 168870348) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-phenyloxan-3-yl)methanol.

Molecular Properties

Compound Name(3-phenyloxan-3-yl)methanol
PubChem CID168870348
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(3-phenyloxan-3-yl)methanol
SMILESOCC1(c2ccccc2)CCCOC1
InChIInChI=1S/C12H16O2/c13-9-12(7-4-8-14-10-12)11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2
InChIKeyZQGCNVIOBKWUAQ-UHFFFAOYSA-N
XLogP1.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
[3-(4-bromophenyl)oxolan-3-yl]methanol
CID 142784119
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
2-(3-pyridin-2-yloxan-3-yl)acetic acid
CID 83822542
[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
3-(2-hydroxyphenyl)oxan-3-ol
CID 105447976
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
[1-(iodomethyl)cyclopentyl]benzene
CID 19966123
[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
3-fluoro-3-phenyloxolane
CID 84717126

Frequently Asked Questions

What is the IUPAC name of (3-phenyloxan-3-yl)methanol?
The IUPAC name of (3-phenyloxan-3-yl)methanol (CID 168870348) is (3-phenyloxan-3-yl)methanol.
What is the SMILES notation for (3-phenyloxan-3-yl)methanol?
The canonical SMILES for (3-phenyloxan-3-yl)methanol is OCC1(c2ccccc2)CCCOC1.
What is the InChIKey of (3-phenyloxan-3-yl)methanol?
The InChIKey is ZQGCNVIOBKWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-9-12(7-4-8-14-10-12)11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2.
What are the key properties of (3-phenyloxan-3-yl)methanol?
(3-phenyloxan-3-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyloxan-3-yl)methanol is sourced from PubChem (CID 168870348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).