[4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol

C19H22O2 — CID 134200372

IUPAC[4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol
SMILESCc1ccc(-c2ccc(CO)c(CCCC3CO3)c2)cc1
InChIInChI=1S/C19H22O2/c1-14-5-7-15(8-6-14)17-9-10-18(12-20)16(11-17)3-2-4-19-13-21-19/h5-11,19-20H,2-4,12-13H2,1H3
InChIKeyFDASNGFGFMYZOU-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.88
Rot. Bonds6

About [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol

[4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol (PubChem CID 134200372) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol.

Molecular Properties

Compound Name[4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol
PubChem CID134200372
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol
SMILESCc1ccc(-c2ccc(CO)c(CCCC3CO3)c2)cc1
InChIInChI=1S/C19H22O2/c1-14-5-7-15(8-6-14)17-9-10-18(12-20)16(11-17)3-2-4-19-13-21-19/h5-11,19-20H,2-4,12-13H2,1H3
InChIKeyFDASNGFGFMYZOU-UHFFFAOYSA-N
XLogP3.88
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol?
The IUPAC name of [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol (CID 134200372) is [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol.
What is the SMILES notation for [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol?
The canonical SMILES for [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol is Cc1ccc(-c2ccc(CO)c(CCCC3CO3)c2)cc1.
What is the InChIKey of [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol?
The InChIKey is FDASNGFGFMYZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-5-7-15(8-6-14)17-9-10-18(12-20)16(11-17)3-2-4-19-13-21-19/h5-11,19-20H,2-4,12-13H2,1H3.
What are the key properties of [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol?
[4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol has a molecular weight of 282.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-2-[3-(oxiran-2-yl)propyl]phenyl]methanol is sourced from PubChem (CID 134200372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).