benzene-1,2-diol;2-hexoxyphenol

C18H24O4 — CID 70150520

IUPACbenzene-1,2-diol;2-hexoxyphenol
SMILESCCCCCCOc1ccccc1O.Oc1ccccc1O
InChIInChI=1S/C12H18O2.C6H6O2/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13;7-5-3-1-2-4-6(5)8/h5-6,8-9,13H,2-4,7,10H2,1H3;1-4,7-8H
InChIKeyQSVDRBVCYOSDAC-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.45
Rot. Bonds6

About benzene-1,2-diol;2-hexoxyphenol

benzene-1,2-diol;2-hexoxyphenol (PubChem CID 70150520) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzene-1,2-diol;2-hexoxyphenol.

Molecular Properties

Compound Namebenzene-1,2-diol;2-hexoxyphenol
PubChem CID70150520
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namebenzene-1,2-diol;2-hexoxyphenol
SMILESCCCCCCOc1ccccc1O.Oc1ccccc1O
InChIInChI=1S/C12H18O2.C6H6O2/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13;7-5-3-1-2-4-6(5)8/h5-6,8-9,13H,2-4,7,10H2,1H3;1-4,7-8H
InChIKeyQSVDRBVCYOSDAC-UHFFFAOYSA-N
XLogP4.45
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-tridecoxyphenol
CID 67178320
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
3-tetradecoxybenzene-1,2-diol
CID 152769078
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
2-ethyl-3-hexoxyphenol
CID 118561746
2,3-dipentoxyphenol
CID 57426098
2-octoxyaniline
CID 14747235
1-methyl-2-pentadecoxybenzene
CID 154641785
2-(5-bromopentoxy)phenol
CID 13197601
4-nonoxybenzene-1,3-diol
CID 66563301
5-pentoxynaphthalen-1-ol
CID 67823980

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;2-hexoxyphenol?
The IUPAC name of benzene-1,2-diol;2-hexoxyphenol (CID 70150520) is benzene-1,2-diol;2-hexoxyphenol.
What is the SMILES notation for benzene-1,2-diol;2-hexoxyphenol?
The canonical SMILES for benzene-1,2-diol;2-hexoxyphenol is CCCCCCOc1ccccc1O.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;2-hexoxyphenol?
The InChIKey is QSVDRBVCYOSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C6H6O2/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13;7-5-3-1-2-4-6(5)8/h5-6,8-9,13H,2-4,7,10H2,1H3;1-4,7-8H.
What are the key properties of benzene-1,2-diol;2-hexoxyphenol?
benzene-1,2-diol;2-hexoxyphenol has a molecular weight of 304.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;2-hexoxyphenol is sourced from PubChem (CID 70150520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).