5-methyl-2-propylbenzene-1,3-diol

C10H14O2 — CID 12529753

IUPAC5-methyl-2-propylbenzene-1,3-diol
SMILESCCCc1c(O)cc(C)cc1O
InChIInChI=1S/C10H14O2/c1-3-4-8-9(11)5-7(2)6-10(8)12/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNBBHDNUKUGMVFI-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.36
Rot. Bonds2

About 5-methyl-2-propylbenzene-1,3-diol

5-methyl-2-propylbenzene-1,3-diol (PubChem CID 12529753) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-methyl-2-propylbenzene-1,3-diol.

Molecular Properties

Compound Name5-methyl-2-propylbenzene-1,3-diol
PubChem CID12529753
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-methyl-2-propylbenzene-1,3-diol
SMILESCCCc1c(O)cc(C)cc1O
InChIInChI=1S/C10H14O2/c1-3-4-8-9(11)5-7(2)6-10(8)12/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNBBHDNUKUGMVFI-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylbenzene-1,3,5-triol
CID 13411724
2,3-dibutyl-5-methylphenol
CID 151375054
5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
CID 19877333
2-iodo-5-methyl-3-propylphenol
CID 121322830
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
5-ethyl-2-methyl-3-propylbenzene-1,4-diol
CID 139946402
5-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-2-propylbenzene-1,3-diol
CID 74380181
2-ethyl-4-methyl-6-propylphenol
CID 66879780
4-[[2-hydroxy-3-[[2-hydroxy-3-[(4-hydroxy-2-methyl-3,5-dipropylphenyl)methyl]-5-methylphenyl]methyl]-5-methylphenyl]methyl]-3-methyl-2,6-dipropylphenol
CID 139743493
2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 90416964

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propylbenzene-1,3-diol?
The IUPAC name of 5-methyl-2-propylbenzene-1,3-diol (CID 12529753) is 5-methyl-2-propylbenzene-1,3-diol.
What is the SMILES notation for 5-methyl-2-propylbenzene-1,3-diol?
The canonical SMILES for 5-methyl-2-propylbenzene-1,3-diol is CCCc1c(O)cc(C)cc1O.
What is the InChIKey of 5-methyl-2-propylbenzene-1,3-diol?
The InChIKey is NBBHDNUKUGMVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-8-9(11)5-7(2)6-10(8)12/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 5-methyl-2-propylbenzene-1,3-diol?
5-methyl-2-propylbenzene-1,3-diol has a molecular weight of 166.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylbenzene-1,3-diol is sourced from PubChem (CID 12529753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).