2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol

C12H18O2 — CID 117284756

IUPAC2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1cccc(C(C)(C)CO)c1
InChIInChI=1S/C12H18O2/c1-12(2,9-13)11-6-4-5-10(7-11)8-14-3/h4-7,13H,8-9H2,1-3H3
InChIKeyLDAQJSVJRQQRJA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.10
Rot. Bonds4

About 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol

2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117284756) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117284756
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCOCc1cccc(C(C)(C)CO)c1
InChIInChI=1S/C12H18O2/c1-12(2,9-13)11-6-4-5-10(7-11)8-14-3/h4-7,13H,8-9H2,1-3H3
InChIKeyLDAQJSVJRQQRJA-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-methoxy-5-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117322386
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
2-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389314
1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
[4-[1-[(3-tert-butylphenyl)methoxy]-2-methylpropan-2-yl]phenyl]methanol
CID 146243336
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
1-tert-butyl-3,5-bis(methoxymethyl)benzene
CID 123490967
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol (CID 117284756) is 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol is COCc1cccc(C(C)(C)CO)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is LDAQJSVJRQQRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,9-13)11-6-4-5-10(7-11)8-14-3/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol?
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117284756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).