4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol

C14H20O3 — CID 10513984

IUPAC4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol
SMILESC=C(CO)C(O)C(C)COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-11(8-15)14(16)12(2)9-17-10-13-6-4-3-5-7-13/h3-7,12,14-16H,1,8-10H2,2H3
InChIKeyVOENPDUFKAFOGY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds7

About 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol

4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol (PubChem CID 10513984) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol.

Molecular Properties

Compound Name4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol
PubChem CID10513984
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol
SMILESC=C(CO)C(O)C(C)COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-11(8-15)14(16)12(2)9-17-10-13-6-4-3-5-7-13/h3-7,12,14-16H,1,8-10H2,2H3
InChIKeyVOENPDUFKAFOGY-UHFFFAOYSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R,5R,6R)-2,4,6-trimethyl-7-phenylmethoxyhept-1-ene-3,5-diol
CID 23247704
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S,3R,4R)-3,5-dimethyl-1-phenylmethoxyhex-5-ene-2,4-diol
CID 13181765
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
CID 66827710
(2S,3R,4S)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 102572209
(5R,6S,7S)-3,3,5,7-tetramethyl-4-methylidene-8-phenylmethoxyoctane-2,6-diol
CID 89280220
2-phenylmethoxyethane-1,1-diol
CID 59866645
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol?
The IUPAC name of 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol (CID 10513984) is 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol.
What is the SMILES notation for 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol?
The canonical SMILES for 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol is C=C(CO)C(O)C(C)COCc1ccccc1.
What is the InChIKey of 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol?
The InChIKey is VOENPDUFKAFOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(8-15)14(16)12(2)9-17-10-13-6-4-3-5-7-13/h3-7,12,14-16H,1,8-10H2,2H3.
What are the key properties of 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol?
4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol has a molecular weight of 236.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol is sourced from PubChem (CID 10513984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).