(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal

C19H22O2 — CID 141427213

IUPAC(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
SMILESCC(C)c1cccc([C@H](C)C=O)c1OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-14(2)17-10-7-11-18(15(3)12-20)19(17)21-13-16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3/t15-/m1/s1
InChIKeyYYQXWOZDISWXBJ-OAHLLOKOSA-N
MW282.38 g/mol
LogP4.69
Rot. Bonds6

About (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal

(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal (PubChem CID 141427213) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
PubChem CID141427213
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal
SMILESCC(C)c1cccc([C@H](C)C=O)c1OCc1ccccc1
InChIInChI=1S/C19H22O2/c1-14(2)17-10-7-11-18(15(3)12-20)19(17)21-13-16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3/t15-/m1/s1
InChIKeyYYQXWOZDISWXBJ-OAHLLOKOSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
2-phenylmethoxy-1-propan-2-yl-3-[(E)-prop-1-enyl]benzene
CID 168954401
1-cyclopropyl-1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 141427218
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2-anthracen-1-ylpropanal
CID 123532907
[2,6-di(propan-2-yl)phenyl] formate
CID 54331720
N-(2,6-dimethylphenyl)-1-[3-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]methanimine
CID 73056847
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
2-[2,3-bis(sulfanyl)phenyl]propanal
CID 134639273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal?
The IUPAC name of (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal (CID 141427213) is (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal.
What is the SMILES notation for (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal?
The canonical SMILES for (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal is CC(C)c1cccc([C@H](C)C=O)c1OCc1ccccc1.
What is the InChIKey of (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal?
The InChIKey is YYQXWOZDISWXBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)17-10-7-11-18(15(3)12-20)19(17)21-13-16-8-5-4-6-9-16/h4-12,14-15H,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal?
(2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal has a molecular weight of 282.38 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylmethoxy-3-propan-2-ylphenyl)propanal is sourced from PubChem (CID 141427213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).