(4-phenylmethoxy-3-propan-2-ylphenyl) acetate

C18H20O3 — CID 19030080

IUPAC(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C18H20O3/c1-13(2)17-11-16(21-14(3)19)9-10-18(17)20-12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKeyCTVYAHKEMJMBMD-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.31
Rot. Bonds5

About (4-phenylmethoxy-3-propan-2-ylphenyl) acetate

(4-phenylmethoxy-3-propan-2-ylphenyl) acetate (PubChem CID 19030080) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-phenylmethoxy-3-propan-2-ylphenyl) acetate.

Molecular Properties

Compound Name(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
PubChem CID19030080
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(OCc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C18H20O3/c1-13(2)17-11-16(21-14(3)19)9-10-18(17)20-12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKeyCTVYAHKEMJMBMD-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
CID 43247067
[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
CID 139828158
[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502
[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxy-3-propan-2-ylphenyl) acetate?
The IUPAC name of (4-phenylmethoxy-3-propan-2-ylphenyl) acetate (CID 19030080) is (4-phenylmethoxy-3-propan-2-ylphenyl) acetate.
What is the SMILES notation for (4-phenylmethoxy-3-propan-2-ylphenyl) acetate?
The canonical SMILES for (4-phenylmethoxy-3-propan-2-ylphenyl) acetate is CC(=O)Oc1ccc(OCc2ccccc2)c(C(C)C)c1.
What is the InChIKey of (4-phenylmethoxy-3-propan-2-ylphenyl) acetate?
The InChIKey is CTVYAHKEMJMBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(2)17-11-16(21-14(3)19)9-10-18(17)20-12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3.
What are the key properties of (4-phenylmethoxy-3-propan-2-ylphenyl) acetate?
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate has a molecular weight of 284.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxy-3-propan-2-ylphenyl) acetate is sourced from PubChem (CID 19030080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).