(3-propoxyphenyl)-(3-propylphenyl)methanone

C19H22O2 — CID 115812256

IUPAC(3-propoxyphenyl)-(3-propylphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cccc(CCC)c2)c1
InChIInChI=1S/C19H22O2/c1-3-7-15-8-5-9-16(13-15)19(20)17-10-6-11-18(14-17)21-12-4-2/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3
InChIKeyUGLSMXGUQACKNO-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.66
Rot. Bonds7

About (3-propoxyphenyl)-(3-propylphenyl)methanone

(3-propoxyphenyl)-(3-propylphenyl)methanone (PubChem CID 115812256) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3-propoxyphenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(3-propoxyphenyl)-(3-propylphenyl)methanone
PubChem CID115812256
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(3-propoxyphenyl)-(3-propylphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2cccc(CCC)c2)c1
InChIInChI=1S/C19H22O2/c1-3-7-15-8-5-9-16(13-15)19(20)17-10-6-11-18(14-17)21-12-4-2/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3
InChIKeyUGLSMXGUQACKNO-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propoxybenzamide
CID 22311435
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(2,5-dibromothiophen-3-yl)-(3-propoxyphenyl)methanone
CID 63491827
acetyl 3-propoxybenzoate
CID 54339605
N,N-dimethyl-3-propoxybenzamide
CID 28639811
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
trimethyl-[2-(3-propylbenzoyl)oxyethyl]azanium
CID 134383316
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
CID 161427356

Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenyl)-(3-propylphenyl)methanone?
The IUPAC name of (3-propoxyphenyl)-(3-propylphenyl)methanone (CID 115812256) is (3-propoxyphenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (3-propoxyphenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (3-propoxyphenyl)-(3-propylphenyl)methanone is CCCOc1cccc(C(=O)c2cccc(CCC)c2)c1.
What is the InChIKey of (3-propoxyphenyl)-(3-propylphenyl)methanone?
The InChIKey is UGLSMXGUQACKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-7-15-8-5-9-16(13-15)19(20)17-10-6-11-18(14-17)21-12-4-2/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3.
What are the key properties of (3-propoxyphenyl)-(3-propylphenyl)methanone?
(3-propoxyphenyl)-(3-propylphenyl)methanone has a molecular weight of 282.38 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).