2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol

C14H22O2 — CID 15136722

IUPAC2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
SMILESCC(CO)Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22O2/c1-11(10-15)9-12-5-7-13(8-6-12)16-14(2,3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKeySFTSDMJJKPFDCP-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds4

About 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol

2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol (PubChem CID 15136722) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
PubChem CID15136722
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
SMILESCC(CO)Cc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22O2/c1-11(10-15)9-12-5-7-13(8-6-12)16-14(2,3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKeySFTSDMJJKPFDCP-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
2-methyl-3-[4-(3-methylbutan-2-yl)phenyl]propan-1-ol
CID 169444062
tert-butyl N-[1-hydroxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]carbamate;methanesulfonic acid
CID 174641780
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
N-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propan-2-amine
CID 98014897
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
2-(methoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 174445019
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
2-formamido-N-(hydroxymethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 20810352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol (CID 15136722) is 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol is CC(CO)Cc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
The InChIKey is SFTSDMJJKPFDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(10-15)9-12-5-7-13(8-6-12)16-14(2,3)4/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol?
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol is sourced from PubChem (CID 15136722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).