(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal

C19H22O2 — CID 125467191

IUPAC(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal
SMILESCCC[C@@H](C=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-2-6-18(14-20)13-16-9-11-19(12-10-16)21-15-17-7-4-3-5-8-17/h3-5,7-12,14,18H,2,6,13,15H2,1H3/t18-/m1/s1
InChIKeyNMADMMWYTSRUTB-GOSISDBHSA-N
MW282.38 g/mol
LogP4.42
Rot. Bonds8

About (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal

(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal (PubChem CID 125467191) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal.

Molecular Properties

Compound Name(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal
PubChem CID125467191
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal
SMILESCCC[C@@H](C=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-2-6-18(14-20)13-16-9-11-19(12-10-16)21-15-17-7-4-3-5-8-17/h3-5,7-12,14,18H,2,6,13,15H2,1H3/t18-/m1/s1
InChIKeyNMADMMWYTSRUTB-GOSISDBHSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.42
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

3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
ethane;ethylbenzene;2-propylpentanal
CID 142003951
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
diethyl 2-[2-benzyl-3-(4-phenylmethoxyphenyl)propyl]propanedioate
CID 174424237
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
tert-butyl N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 51356831
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
1-(2-methylhex-3-ynyl)-4-phenylmethoxybenzene
CID 83932957
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal?
The IUPAC name of (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal (CID 125467191) is (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal.
What is the SMILES notation for (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal?
The canonical SMILES for (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal is CCC[C@@H](C=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal?
The InChIKey is NMADMMWYTSRUTB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-6-18(14-20)13-16-9-11-19(12-10-16)21-15-17-7-4-3-5-8-17/h3-5,7-12,14,18H,2,6,13,15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal?
(2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal has a molecular weight of 282.38 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-phenylmethoxyphenyl)methyl]pentanal is sourced from PubChem (CID 125467191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).