(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone

C18H20O3 — CID 62797135

IUPAC(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H20O3/c1-4-20-17-7-5-6-15(12-17)18(19)14-8-10-16(11-9-14)21-13(2)3/h5-13H,4H2,1-3H3
InChIKeyMJQFMEKFFDUHII-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.10
Rot. Bonds6

About (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone

(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 62797135) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID62797135
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H20O3/c1-4-20-17-7-5-6-15(12-17)18(19)14-8-10-16(11-9-14)21-13(2)3/h5-13H,4H2,1-3H3
InChIKeyMJQFMEKFFDUHII-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
[3,5-di(propan-2-yloxy)phenyl]-phenylmethanone
CID 67418850
propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
CID 17162418
butan-2-yl 3-propan-2-yloxybenzoate
CID 82186277
(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 115791255
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
(3-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105122423
2-[3-(4-methylbenzoyl)phenoxy]propanoic acid
CID 3057760
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116709920

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone (CID 62797135) is (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone is CCOc1cccc(C(=O)c2ccc(OC(C)C)cc2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is MJQFMEKFFDUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-20-17-7-5-6-15(12-17)18(19)14-8-10-16(11-9-14)21-13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone?
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 62797135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).