2-methylidene-1,4-diphenylpentane-1,4-diol

C18H20O2 — CID 12996819

IUPAC2-methylidene-1,4-diphenylpentane-1,4-diol
SMILESC=C(CC(C)(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(17(19)15-9-5-3-6-10-15)13-18(2,20)16-11-7-4-8-12-16/h3-12,17,19-20H,1,13H2,2H3
InChIKeyMEDREADGLXSPEL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.57
Rot. Bonds5

About 2-methylidene-1,4-diphenylpentane-1,4-diol

2-methylidene-1,4-diphenylpentane-1,4-diol (PubChem CID 12996819) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methylidene-1,4-diphenylpentane-1,4-diol.

Molecular Properties

Compound Name2-methylidene-1,4-diphenylpentane-1,4-diol
PubChem CID12996819
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-methylidene-1,4-diphenylpentane-1,4-diol
SMILESC=C(CC(C)(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(17(19)15-9-5-3-6-10-15)13-18(2,20)16-11-7-4-8-12-16/h3-12,17,19-20H,1,13H2,2H3
InChIKeyMEDREADGLXSPEL-UHFFFAOYSA-N
XLogP3.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
2-phenyl-4-trimethylstannylpent-4-en-2-ol
CID 14290604
3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
CID 12507780
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-hydroxy-4,4-dimethyl-1-phenylpentan-2-one
CID 58128890
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
CID 22438373
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
2-methylidene-3-methylsulfanyl-1-phenylbut-3-en-1-ol
CID 14709882
2-methylpropan-2-ol;1-phenylethanol
CID 160949043

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,4-diphenylpentane-1,4-diol?
The IUPAC name of 2-methylidene-1,4-diphenylpentane-1,4-diol (CID 12996819) is 2-methylidene-1,4-diphenylpentane-1,4-diol.
What is the SMILES notation for 2-methylidene-1,4-diphenylpentane-1,4-diol?
The canonical SMILES for 2-methylidene-1,4-diphenylpentane-1,4-diol is C=C(CC(C)(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-methylidene-1,4-diphenylpentane-1,4-diol?
The InChIKey is MEDREADGLXSPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(17(19)15-9-5-3-6-10-15)13-18(2,20)16-11-7-4-8-12-16/h3-12,17,19-20H,1,13H2,2H3.
What are the key properties of 2-methylidene-1,4-diphenylpentane-1,4-diol?
2-methylidene-1,4-diphenylpentane-1,4-diol has a molecular weight of 268.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,4-diphenylpentane-1,4-diol is sourced from PubChem (CID 12996819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).