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

C14H22O2 — CID 117114454

IUPAC1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
SMILESCOC(C)(C)Cc1cccc(CC(C)O)c1
InChIInChI=1S/C14H22O2/c1-11(15)8-12-6-5-7-13(9-12)10-14(2,3)16-4/h5-7,9,11,15H,8,10H2,1-4H3
InChIKeyPUFYPKDXOFCERR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.58
Rot. Bonds5

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

1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol (PubChem CID 117114454) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
PubChem CID117114454
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
SMILESCOC(C)(C)Cc1cccc(CC(C)O)c1
InChIInChI=1S/C14H22O2/c1-11(15)8-12-6-5-7-13(9-12)10-14(2,3)16-4/h5-7,9,11,15H,8,10H2,1-4H3
InChIKeyPUFYPKDXOFCERR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528
1-(3-ethylphenyl)propan-2-ol
CID 85092525
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
CID 117107385
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
CID 117114461
1-[3-(2-methoxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117355
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol (CID 117114454) is 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol is COC(C)(C)Cc1cccc(CC(C)O)c1.
What is the InChIKey of 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is PUFYPKDXOFCERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(15)8-12-6-5-7-13(9-12)10-14(2,3)16-4/h5-7,9,11,15H,8,10H2,1-4H3.
What are the key properties of 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol?
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 117114454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).