3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol

C17H20O2 — CID 94271774

IUPAC3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol
SMILESCc1cccc(-c2ccc(OCCCO)cc2)c1C
InChIInChI=1S/C17H20O2/c1-13-5-3-6-17(14(13)2)15-7-9-16(10-8-15)19-12-4-11-18/h3,5-10,18H,4,11-12H2,1-2H3
InChIKeyRVCRUOBWJCXDPE-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.73
Rot. Bonds5

About 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol

3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol (PubChem CID 94271774) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol
PubChem CID94271774
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol
SMILESCc1cccc(-c2ccc(OCCCO)cc2)c1C
InChIInChI=1S/C17H20O2/c1-13-5-3-6-17(14(13)2)15-7-9-16(10-8-15)19-12-4-11-18/h3,5-10,18H,4,11-12H2,1-2H3
InChIKeyRVCRUOBWJCXDPE-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-chloroethoxy)phenyl]-2,3-dimethylbenzene
CID 82121549
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
[4-(2,3-dimethylphenyl)phenyl] prop-2-enoate
CID 174664238
3-[4-(4-fluorophenyl)phenoxy]propan-1-ol
CID 54464679
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-[4-(9-ethyl-9H-fluoren-1-yl)phenoxy]ethanol
CID 118321734

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol (CID 94271774) is 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol is Cc1cccc(-c2ccc(OCCCO)cc2)c1C.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol?
The InChIKey is RVCRUOBWJCXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13-5-3-6-17(14(13)2)15-7-9-16(10-8-15)19-12-4-11-18/h3,5-10,18H,4,11-12H2,1-2H3.
What are the key properties of 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol?
3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol has a molecular weight of 256.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)phenoxy]propan-1-ol is sourced from PubChem (CID 94271774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).