1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol

C14H22O2 — CID 117114478

IUPAC1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol
SMILESCOCC(C)(C)c1ccc(CC(C)O)cc1
InChIInChI=1S/C14H22O2/c1-11(15)9-12-5-7-13(8-6-12)14(2,3)10-16-4/h5-8,11,15H,9-10H2,1-4H3
InChIKeyAELDTYYCMQFQGP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.53
Rot. Bonds5

About 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol

1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol (PubChem CID 117114478) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol
PubChem CID117114478
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol
SMILESCOCC(C)(C)c1ccc(CC(C)O)cc1
InChIInChI=1S/C14H22O2/c1-11(15)9-12-5-7-13(8-6-12)14(2,3)10-16-4/h5-8,11,15H,9-10H2,1-4H3
InChIKeyAELDTYYCMQFQGP-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propanoic acid
CID 117115182
1-[4-(2-methylsulfonylpropan-2-yl)phenyl]propan-2-ol
CID 117114490
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
CID 142040255
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
CID 117322250
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
1-[4-(3-methoxybutyl)phenyl]propan-2-ol
CID 117114468
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-3-phenylpropane-1,3-dione
CID 163212628
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
1-[4-(2,2,2-trifluoroethylamino)phenyl]propan-2-ol
CID 158835126

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol (CID 117114478) is 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol is COCC(C)(C)c1ccc(CC(C)O)cc1.
What is the InChIKey of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol?
The InChIKey is AELDTYYCMQFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(15)9-12-5-7-13(8-6-12)14(2,3)10-16-4/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol?
1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117114478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).