ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol

C20H28O3 — CID 144861751

IUPACethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
SMILESC=C.Cc1ccccc1CC(C)CO.OC(O)c1ccccc1
InChIInChI=1S/C11H16O.C7H8O2.C2H4/c1-9(8-12)7-11-6-4-3-5-10(11)2;8-7(9)6-4-2-1-3-5-6;1-2/h3-6,9,12H,7-8H2,1-2H3;1-5,7-9H;1-2H2
InChIKeyKZYLQFUZXUGBED-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.64
Rot. Bonds4

About ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol

ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol (PubChem CID 144861751) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol.

Molecular Properties

Compound Nameethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
PubChem CID144861751
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Nameethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol
SMILESC=C.Cc1ccccc1CC(C)CO.OC(O)c1ccccc1
InChIInChI=1S/C11H16O.C7H8O2.C2H4/c1-9(8-12)7-11-6-4-3-5-10(11)2;8-7(9)6-4-2-1-3-5-6;1-2/h3-6,9,12H,7-8H2,1-2H3;1-5,7-9H;1-2H2
InChIKeyKZYLQFUZXUGBED-UHFFFAOYSA-N
XLogP3.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
3-(2-ethylphenyl)-2-methylpropan-1-ol
CID 23398441
1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
CID 110901372
(3R)-3-hydroxy-4-(2-methylphenyl)butanoic acid
CID 67621465
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
1-N'-[2-(2-methylphenyl)-1-phenylethyl]-1-N-propan-2-ylethene-1,1-diamine
CID 122547228
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 115659346
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
1,2-bis(2-methylphenyl)ethanol
CID 60798292

Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol?
The IUPAC name of ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol (CID 144861751) is ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol.
What is the SMILES notation for ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol?
The canonical SMILES for ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol is C=C.Cc1ccccc1CC(C)CO.OC(O)c1ccccc1.
What is the InChIKey of ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol?
The InChIKey is KZYLQFUZXUGBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C7H8O2.C2H4/c1-9(8-12)7-11-6-4-3-5-10(11)2;8-7(9)6-4-2-1-3-5-6;1-2/h3-6,9,12H,7-8H2,1-2H3;1-5,7-9H;1-2H2.
What are the key properties of ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol?
ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol has a molecular weight of 316.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-3-(2-methylphenyl)propan-1-ol;phenylmethanediol is sourced from PubChem (CID 144861751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).