benzene-1,3-diol;3-propan-2-yloxyphenol

C15H18O4 — CID 159090607

IUPACbenzene-1,3-diol;3-propan-2-yloxyphenol
SMILESCC(C)Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C9H12O2.C6H6O2/c1-7(2)11-9-5-3-4-8(10)6-9;7-5-2-1-3-6(8)4-5/h3-7,10H,1-2H3;1-4,7-8H
InChIKeyKCAAJRXXYIMYFC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.28
Rot. Bonds2

About benzene-1,3-diol;3-propan-2-yloxyphenol

benzene-1,3-diol;3-propan-2-yloxyphenol (PubChem CID 159090607) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzene-1,3-diol;3-propan-2-yloxyphenol.

Molecular Properties

Compound Namebenzene-1,3-diol;3-propan-2-yloxyphenol
PubChem CID159090607
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namebenzene-1,3-diol;3-propan-2-yloxyphenol
SMILESCC(C)Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C9H12O2.C6H6O2/c1-7(2)11-9-5-3-4-8(10)6-9;7-5-2-1-3-6(8)4-5/h3-7,10H,1-2H3;1-4,7-8H
InChIKeyKCAAJRXXYIMYFC-UHFFFAOYSA-N
XLogP3.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
3-but-3-en-2-yloxyphenol
CID 62384342
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
bis(3-hydroxyphenyl) 2,3-dihydroxybutanedioate
CID 66768995
(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
2,5-di(propan-2-yloxy)phenol
CID 57426094
3-(1-fluorobutoxy)phenol
CID 174949464

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;3-propan-2-yloxyphenol?
The IUPAC name of benzene-1,3-diol;3-propan-2-yloxyphenol (CID 159090607) is benzene-1,3-diol;3-propan-2-yloxyphenol.
What is the SMILES notation for benzene-1,3-diol;3-propan-2-yloxyphenol?
The canonical SMILES for benzene-1,3-diol;3-propan-2-yloxyphenol is CC(C)Oc1cccc(O)c1.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;3-propan-2-yloxyphenol?
The InChIKey is KCAAJRXXYIMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C6H6O2/c1-7(2)11-9-5-3-4-8(10)6-9;7-5-2-1-3-6(8)4-5/h3-7,10H,1-2H3;1-4,7-8H.
What are the key properties of benzene-1,3-diol;3-propan-2-yloxyphenol?
benzene-1,3-diol;3-propan-2-yloxyphenol has a molecular weight of 262.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;3-propan-2-yloxyphenol is sourced from PubChem (CID 159090607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).