1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol

C14H22O2 — CID 82266399

IUPAC1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CC)c(C)c1C
InChIInChI=1S/C14H22O2/c1-5-9-16-14-8-7-12(13(15)6-2)10(3)11(14)4/h7-8,13,15H,5-6,9H2,1-4H3
InChIKeySGRSIYHOYRTDTM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.54
Rot. Bonds5

About 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol

1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol (PubChem CID 82266399) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
PubChem CID82266399
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CC)c(C)c1C
InChIInChI=1S/C14H22O2/c1-5-9-16-14-8-7-12(13(15)6-2)10(3)11(14)4/h7-8,13,15H,5-6,9H2,1-4H3
InChIKeySGRSIYHOYRTDTM-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dimethyl-4-propoxyphenyl)heptane-2,3-diol
CID 83940032
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
2-amino-4-(dimethylamino)-1-(2,3-dimethyl-4-propoxyphenyl)butan-1-ol
CID 83939948
1-(2,3,6-trimethyl-4-propoxyphenyl)propan-1-ol
CID 82266357
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
4-[2-(2,3-dimethyl-4-propoxyphenyl)propyl]-1-ethyltriazole
CID 112719366
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
ethyl 2-(2,3-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552544
(1R)-1-(4-methyl-2-propoxyphenyl)ethanol
CID 63650759
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
CID 125490777
2-[2-(2,3-dimethyl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83939972
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol (CID 82266399) is 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(O)CC)c(C)c1C.
What is the InChIKey of 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol?
The InChIKey is SGRSIYHOYRTDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-9-16-14-8-7-12(13(15)6-2)10(3)11(14)4/h7-8,13,15H,5-6,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol?
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 82266399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).