benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol

C27H30O6 — CID 160554981

IUPACbenzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
SMILESOCc1ccc(CO)cc1.OCc1ccccc1.Oc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C8H10O2.C7H8O.C6H6O2.C6H6O/c9-5-7-1-2-8(6-10)4-3-7;8-6-7-4-2-1-3-5-7;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6/h1-4,9-10H,5-6H2;1-5,8H,6H2;1-4,7-8H;1-5,7H
InChIKeyQYOGBYWJZJIOJX-UHFFFAOYSA-N
MW450.53 g/mol
LogP4.34
Rot. Bonds3

About benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol

benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol (PubChem CID 160554981) has the molecular formula C27H30O6 and a molecular weight of 450.53 g/mol. Its IUPAC name is benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol.

Molecular Properties

Compound Namebenzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
PubChem CID160554981
Molecular FormulaC27H30O6
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Namebenzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
SMILESOCc1ccc(CO)cc1.OCc1ccccc1.Oc1ccc(O)cc1.Oc1ccccc1
InChIInChI=1S/C8H10O2.C7H8O.C6H6O2.C6H6O/c9-5-7-1-2-8(6-10)4-3-7;8-6-7-4-2-1-3-5-7;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6/h1-4,9-10H,5-6H2;1-5,8H,6H2;1-4,7-8H;1-5,7H
InChIKeyQYOGBYWJZJIOJX-UHFFFAOYSA-N
XLogP4.34
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 54.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)phenol;phenol
CID 141229785
4-aminophenol;phenylmethanol
CID 174233952
4-(hydroxymethyl)phenol;hydrate
CID 141133894
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
CID 175920876
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
methanol;phenylmethanol
CID 19822462
phenylmethanol;titanium;dihydrochloride
CID 88632851
molecular hydrogen;phenylmethanol
CID 158888584
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol?
The IUPAC name of benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol (CID 160554981) is benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol.
What is the SMILES notation for benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol?
The canonical SMILES for benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol is OCc1ccc(CO)cc1.OCc1ccccc1.Oc1ccc(O)cc1.Oc1ccccc1.
What is the InChIKey of benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol?
The InChIKey is QYOGBYWJZJIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H8O.C6H6O2.C6H6O/c9-5-7-1-2-8(6-10)4-3-7;8-6-7-4-2-1-3-5-7;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6/h1-4,9-10H,5-6H2;1-5,8H,6H2;1-4,7-8H;1-5,7H.
What are the key properties of benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol?
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol has a molecular weight of 450.53 g/mol, XLogP of 4.34, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol is sourced from PubChem (CID 160554981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).