(3-methoxy-1-phenylpentan-2-yl) benzoate

C19H22O3 — CID 174910500

IUPAC(3-methoxy-1-phenylpentan-2-yl) benzoate
SMILESCCC(OC)C(Cc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C19H22O3/c1-3-17(21-2)18(14-15-10-6-4-7-11-15)22-19(20)16-12-8-5-9-13-16/h4-13,17-18H,3,14H2,1-2H3
InChIKeyNJVTXXSOXZAPOM-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.88
Rot. Bonds7

About (3-methoxy-1-phenylpentan-2-yl) benzoate

(3-methoxy-1-phenylpentan-2-yl) benzoate (PubChem CID 174910500) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (3-methoxy-1-phenylpentan-2-yl) benzoate.

Molecular Properties

Compound Name(3-methoxy-1-phenylpentan-2-yl) benzoate
PubChem CID174910500
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(3-methoxy-1-phenylpentan-2-yl) benzoate
SMILESCCC(OC)C(Cc1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C19H22O3/c1-3-17(21-2)18(14-15-10-6-4-7-11-15)22-19(20)16-12-8-5-9-13-16/h4-13,17-18H,3,14H2,1-2H3
InChIKeyNJVTXXSOXZAPOM-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-benzoyloxy-4,5-dibenzyloctan-3-yl) benzoate
CID 141068159
[(3S,4S)-4-hydroxyhexan-3-yl] benzoate
CID 101228669
(5-benzoyloxy-4-propan-2-ylheptan-3-yl) benzoate
CID 126566908
1,2-dihydroxybutyl benzoate
CID 140652937
[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
CID 71568607
1-dimethoxyphosphorylpropyl benzoate
CID 134920574
(3R,6S)-2,3,6-trihydroxy-7-methoxy-1,8-diphenyloctane-4,5-dione
CID 54250401
(4-benzoyloxy-3-propylhexan-2-yl) benzoate
CID 172556905
2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid
CID 175154678
1-aminopropyl benzoate;copper
CID 70588917
1-hydroxypentan-3-yl benzoate
CID 66896563
(5-benzoyloxy-3,4-dipropylheptan-2-yl) benzoate
CID 141062624

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-phenylpentan-2-yl) benzoate?
The IUPAC name of (3-methoxy-1-phenylpentan-2-yl) benzoate (CID 174910500) is (3-methoxy-1-phenylpentan-2-yl) benzoate.
What is the SMILES notation for (3-methoxy-1-phenylpentan-2-yl) benzoate?
The canonical SMILES for (3-methoxy-1-phenylpentan-2-yl) benzoate is CCC(OC)C(Cc1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of (3-methoxy-1-phenylpentan-2-yl) benzoate?
The InChIKey is NJVTXXSOXZAPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-17(21-2)18(14-15-10-6-4-7-11-15)22-19(20)16-12-8-5-9-13-16/h4-13,17-18H,3,14H2,1-2H3.
What are the key properties of (3-methoxy-1-phenylpentan-2-yl) benzoate?
(3-methoxy-1-phenylpentan-2-yl) benzoate has a molecular weight of 298.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-phenylpentan-2-yl) benzoate is sourced from PubChem (CID 174910500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).