(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol

C18H30O2 — CID 69097361

IUPAC(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
SMILESCCCC(CCC)COc1cccc(C[C@@H](O)CC)c1
InChIInChI=1S/C18H30O2/c1-4-8-15(9-5-2)14-20-18-11-7-10-16(13-18)12-17(19)6-3/h7,10-11,13,15,17,19H,4-6,8-9,12,14H2,1-3H3/t17-/m0/s1
InChIKeyNVMIFDZOHMTXAZ-KRWDZBQOSA-N
MW278.44 g/mol
LogP4.60
Rot. Bonds10

About (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol

(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol (PubChem CID 69097361) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
PubChem CID69097361
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
SMILESCCCC(CCC)COc1cccc(C[C@@H](O)CC)c1
InChIInChI=1S/C18H30O2/c1-4-8-15(9-5-2)14-20-18-11-7-10-16(13-18)12-17(19)6-3/h7,10-11,13,15,17,19H,4-6,8-9,12,14H2,1-3H3/t17-/m0/s1
InChIKeyNVMIFDZOHMTXAZ-KRWDZBQOSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[3-(2-ethylbutoxy)phenyl]propan-2-ol
CID 67316817
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
CID 71163703
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
3-[3-(2-propylpentoxy)phenyl]propylhydrazine
CID 170000414
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?
The IUPAC name of (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol (CID 69097361) is (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol.
What is the SMILES notation for (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?
The canonical SMILES for (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol is CCCC(CCC)COc1cccc(C[C@@H](O)CC)c1.
What is the InChIKey of (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?
The InChIKey is NVMIFDZOHMTXAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30O2/c1-4-8-15(9-5-2)14-20-18-11-7-10-16(13-18)12-17(19)6-3/h7,10-11,13,15,17,19H,4-6,8-9,12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?
(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol is sourced from PubChem (CID 69097361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).