(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol

C24H24O2 — CID 134204982

IUPAC(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol
SMILESCCCC1(C(O)c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2/c1-2-18-23(22(25)19-12-6-3-7-13-19)24(26-23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25H,2,18H2,1H3
InChIKeyWWASHAMUGDNVNB-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.23
Rot. Bonds6

About (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol

(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol (PubChem CID 134204982) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol
PubChem CID134204982
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol
SMILESCCCC1(C(O)c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24O2/c1-2-18-23(22(25)19-12-6-3-7-13-19)24(26-23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25H,2,18H2,1H3
InChIKeyWWASHAMUGDNVNB-UHFFFAOYSA-N
XLogP5.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.23
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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Related Compounds

phenyl-(3-phenyloxaziridin-3-yl)methanol
CID 88777993
(1S)-1-phenylethanol
CID 157125626
(R)-[(2S,3S)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134930519
(R)-[(2S,3R)-3-methyl-2-phenyloxiran-2-yl]-phenylmethanol
CID 134931163
(1S)-1-phenylpentan-1-ol
CID 6992754
azane;(1R)-1-phenylethanol
CID 126646564
(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
CID 59444461
(R)-[(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl]-phenylmethanol
CID 129360239
phenyl-(2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxol-2-yl)methanol
CID 56690735
1-phenylpropan-1-ol;hydrate
CID 156782934
1-phenyl-2-propylpentan-1-ol
CID 82987900
(R)-phenyl-(2-phenyl-1,3-dioxolan-2-yl)methanol
CID 41097603

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol?
The IUPAC name of (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol (CID 134204982) is (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol.
What is the SMILES notation for (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol?
The canonical SMILES for (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol is CCCC1(C(O)c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol?
The InChIKey is WWASHAMUGDNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-2-18-23(22(25)19-12-6-3-7-13-19)24(26-23,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25H,2,18H2,1H3.
What are the key properties of (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol?
(3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol has a molecular weight of 344.45 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-2-propyloxiran-2-yl)-phenylmethanol is sourced from PubChem (CID 134204982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).