dideuterio-(3-phenoxyphenyl)methanol

C13H12O2 — CID 12604006

IUPACdideuterio-(3-phenoxyphenyl)methanol
SMILES[2H]C([2H])(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2/i10D2
InChIKeyKGANAERDZBAECK-KBMKNGFXSA-N
MW202.25 g/mol
LogP2.97
Rot. Bonds3

About dideuterio-(3-phenoxyphenyl)methanol

dideuterio-(3-phenoxyphenyl)methanol (PubChem CID 12604006) has the molecular formula C13H12O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is dideuterio-(3-phenoxyphenyl)methanol.

Molecular Properties

Compound Namedideuterio-(3-phenoxyphenyl)methanol
PubChem CID12604006
Molecular FormulaC13H12O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namedideuterio-(3-phenoxyphenyl)methanol
SMILES[2H]C([2H])(O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2/i10D2
InChIKeyKGANAERDZBAECK-KBMKNGFXSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
(3-phenoxyphenyl)methylphosphane
CID 70930904
CID 163958367
CID 163958367
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
CID 174876749
CID 174876749
2-oxo-4-(3-phenoxyphenyl)butanoic acid
CID 82185753
N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
CID 142649594

Frequently Asked Questions

What is the IUPAC name of dideuterio-(3-phenoxyphenyl)methanol?
The IUPAC name of dideuterio-(3-phenoxyphenyl)methanol (CID 12604006) is dideuterio-(3-phenoxyphenyl)methanol.
What is the SMILES notation for dideuterio-(3-phenoxyphenyl)methanol?
The canonical SMILES for dideuterio-(3-phenoxyphenyl)methanol is [2H]C([2H])(O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of dideuterio-(3-phenoxyphenyl)methanol?
The InChIKey is KGANAERDZBAECK-KBMKNGFXSA-N. The full InChI is InChI=1S/C13H12O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9,14H,10H2/i10D2.
What are the key properties of dideuterio-(3-phenoxyphenyl)methanol?
dideuterio-(3-phenoxyphenyl)methanol has a molecular weight of 202.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-(3-phenoxyphenyl)methanol is sourced from PubChem (CID 12604006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).