3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate

C24H28O3 — CID 159260366

IUPAC3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate
SMILESCCOc1c(C(C)C)ccc(OCc2ccccc2)c1-c1ccccc1.O
InChIInChI=1S/C24H26O2.H2O/c1-4-25-24-21(18(2)3)15-16-22(23(24)20-13-9-6-10-14-20)26-17-19-11-7-5-8-12-19;/h5-16,18H,4,17H2,1-3H3;1H2
InChIKeyIPZZWZJZOMVPMG-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.63
Rot. Bonds7

About 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate

3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate (PubChem CID 159260366) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate.

Molecular Properties

Compound Name3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate
PubChem CID159260366
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate
SMILESCCOc1c(C(C)C)ccc(OCc2ccccc2)c1-c1ccccc1.O
InChIInChI=1S/C24H26O2.H2O/c1-4-25-24-21(18(2)3)15-16-22(23(24)20-13-9-6-10-14-20)26-17-19-11-7-5-8-12-19;/h5-16,18H,4,17H2,1-3H3;1H2
InChIKeyIPZZWZJZOMVPMG-UHFFFAOYSA-N
XLogP5.63
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethyl-7-phenylmethoxy-4-propan-2-ylnaphthalene
CID 163194899
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
1-methyl-2-phenyl-3-phenylmethoxybenzene
CID 170694613
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
4-(chloromethyl)-3-(4-fluorophenyl)-1,2-bis(phenylmethoxy)-5-propan-2-ylbenzene
CID 23352397
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate?
The IUPAC name of 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate (CID 159260366) is 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate.
What is the SMILES notation for 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate?
The canonical SMILES for 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate is CCOc1c(C(C)C)ccc(OCc2ccccc2)c1-c1ccccc1.O.
What is the InChIKey of 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate?
The InChIKey is IPZZWZJZOMVPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.H2O/c1-4-25-24-21(18(2)3)15-16-22(23(24)20-13-9-6-10-14-20)26-17-19-11-7-5-8-12-19;/h5-16,18H,4,17H2,1-3H3;1H2.
What are the key properties of 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate?
3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate has a molecular weight of 364.49 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-phenyl-1-phenylmethoxy-4-propan-2-ylbenzene;hydrate is sourced from PubChem (CID 159260366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).