(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal

C12H16O3 — CID 71388640

IUPAC(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal
SMILESC[C@](CO)(CC=O)OCc1ccccc1
InChIInChI=1S/C12H16O3/c1-12(10-14,7-8-13)15-9-11-5-3-2-4-6-11/h2-6,8,14H,7,9-10H2,1H3/t12-/m1/s1
InChIKeyVZIOWTWTNXUYAI-GFCCVEGCSA-N
MW208.26 g/mol
LogP1.54
Rot. Bonds6

About (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal

(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal (PubChem CID 71388640) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal.

Molecular Properties

Compound Name(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal
PubChem CID71388640
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal
SMILESC[C@](CO)(CC=O)OCc1ccccc1
InChIInChI=1S/C12H16O3/c1-12(10-14,7-8-13)15-9-11-5-3-2-4-6-11/h2-6,8,14H,7,9-10H2,1H3/t12-/m1/s1
InChIKeyVZIOWTWTNXUYAI-GFCCVEGCSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-phenylmethoxypent-4-en-1-ol
CID 14683661
4-methylheptan-4-yloxymethylbenzene
CID 20782055
(2S)-2-methyl-3-octadecoxy-2-phenylmethoxypropan-1-ol
CID 69098016
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
3-methyl-3-[3-(phenylmethoxymethyl)phenyl]butanal
CID 139900892
2-phenylmethoxy-2-propan-2-ylpropanedioic acid
CID 21275279
(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethylbenzene
CID 114772524
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802

Frequently Asked Questions

What is the IUPAC name of (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal?
The IUPAC name of (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal (CID 71388640) is (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal.
What is the SMILES notation for (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal?
The canonical SMILES for (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal is C[C@](CO)(CC=O)OCc1ccccc1.
What is the InChIKey of (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal?
The InChIKey is VZIOWTWTNXUYAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(10-14,7-8-13)15-9-11-5-3-2-4-6-11/h2-6,8,14H,7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal?
(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal has a molecular weight of 208.26 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal is sourced from PubChem (CID 71388640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).