(1S)-2-methyl-1-phenylpropan-1-ol

C10H14O — CID 5325937

IUPAC(1S)-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)[C@H](O)c1ccccc1
InChIInChI=1S/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-/m0/s1
InChIKeyGMDYDZMQHRTHJA-JTQLQIEISA-N
MW150.22 g/mol
LogP2.38
Rot. Bonds2

About (1S)-2-methyl-1-phenylpropan-1-ol

(1S)-2-methyl-1-phenylpropan-1-ol (PubChem CID 5325937) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1S)-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-1-phenylpropan-1-ol
PubChem CID5325937
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1S)-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)[C@H](O)c1ccccc1
InChIInChI=1S/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-/m0/s1
InChIKeyGMDYDZMQHRTHJA-JTQLQIEISA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of (1S)-2-methyl-1-phenylpropan-1-ol (CID 5325937) is (1S)-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-2-methyl-1-phenylpropan-1-ol is CC(C)[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-methyl-1-phenylpropan-1-ol?
The InChIKey is GMDYDZMQHRTHJA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-2-methyl-1-phenylpropan-1-ol?
(1S)-2-methyl-1-phenylpropan-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 5325937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).