3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol

C14H22O2 — CID 117117618

IUPAC3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
SMILESCOCC(C)(C)c1cccc(CCCO)c1
InChIInChI=1S/C14H22O2/c1-14(2,11-16-3)13-8-4-6-12(10-13)7-5-9-15/h4,6,8,10,15H,5,7,9,11H2,1-3H3
InChIKeyIUZGTGKXRWHHAV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds6

About 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol

3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol (PubChem CID 117117618) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
PubChem CID117117618
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
SMILESCOCC(C)(C)c1cccc(CCCO)c1
InChIInChI=1S/C14H22O2/c1-14(2,11-16-3)13-8-4-6-12(10-13)7-5-9-15/h4,6,8,10,15H,5,7,9,11H2,1-3H3
InChIKeyIUZGTGKXRWHHAV-UHFFFAOYSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117111409
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
CID 117107418
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
2-[3-(3-aminopropyl)phenyl]-3,3-dimethylbutan-2-ol
CID 71034690

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol (CID 117117618) is 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol is COCC(C)(C)c1cccc(CCCO)c1.
What is the InChIKey of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol?
The InChIKey is IUZGTGKXRWHHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,11-16-3)13-8-4-6-12(10-13)7-5-9-15/h4,6,8,10,15H,5,7,9,11H2,1-3H3.
What are the key properties of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol?
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117117618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).