ethane;4-ethyl-5-methoxybenzene-1,3-diol

C11H18O3 — CID 153353458

IUPACethane;4-ethyl-5-methoxybenzene-1,3-diol
SMILESCC.CCc1c(O)cc(O)cc1OC
InChIInChI=1S/C9H12O3.C2H6/c1-3-7-8(11)4-6(10)5-9(7)12-2;1-2/h4-5,10-11H,3H2,1-2H3;1-2H3
InChIKeySYFOJAZQWQIBOD-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.69
Rot. Bonds2

About ethane;4-ethyl-5-methoxybenzene-1,3-diol

ethane;4-ethyl-5-methoxybenzene-1,3-diol (PubChem CID 153353458) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethane;4-ethyl-5-methoxybenzene-1,3-diol.

Molecular Properties

Compound Nameethane;4-ethyl-5-methoxybenzene-1,3-diol
PubChem CID153353458
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethane;4-ethyl-5-methoxybenzene-1,3-diol
SMILESCC.CCc1c(O)cc(O)cc1OC
InChIInChI=1S/C9H12O3.C2H6/c1-3-7-8(11)4-6(10)5-9(7)12-2;1-2/h4-5,10-11H,3H2,1-2H3;1-2H3
InChIKeySYFOJAZQWQIBOD-UHFFFAOYSA-N
XLogP2.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
2-propylbenzene-1,3,5-triol
CID 13411724
4-bromo-3,5-dimethoxyphenol
CID 14339099
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
O-methyl 4-ethyl-3,5-dimethoxybenzenecarbothioate
CID 154133859
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-methoxybenzene-1,3-diol?
The IUPAC name of ethane;4-ethyl-5-methoxybenzene-1,3-diol (CID 153353458) is ethane;4-ethyl-5-methoxybenzene-1,3-diol.
What is the SMILES notation for ethane;4-ethyl-5-methoxybenzene-1,3-diol?
The canonical SMILES for ethane;4-ethyl-5-methoxybenzene-1,3-diol is CC.CCc1c(O)cc(O)cc1OC.
What is the InChIKey of ethane;4-ethyl-5-methoxybenzene-1,3-diol?
The InChIKey is SYFOJAZQWQIBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.C2H6/c1-3-7-8(11)4-6(10)5-9(7)12-2;1-2/h4-5,10-11H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-5-methoxybenzene-1,3-diol?
ethane;4-ethyl-5-methoxybenzene-1,3-diol has a molecular weight of 198.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-methoxybenzene-1,3-diol is sourced from PubChem (CID 153353458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).