6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol

C17H14O3 — CID 129291923

IUPAC6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
SMILESOc1ccc(Cc2cc3cccc(O)c3cc2O)cc1
InChIInChI=1S/C17H14O3/c18-14-6-4-11(5-7-14)8-13-9-12-2-1-3-16(19)15(12)10-17(13)20/h1-7,9-10,18-20H,8H2
InChIKeyGAUKPZVLIPDMAA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.55
Rot. Bonds2

About 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol

6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol (PubChem CID 129291923) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
PubChem CID129291923
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
SMILESOc1ccc(Cc2cc3cccc(O)c3cc2O)cc1
InChIInChI=1S/C17H14O3/c18-14-6-4-11(5-7-14)8-13-9-12-2-1-3-16(19)15(12)10-17(13)20/h1-7,9-10,18-20H,8H2
InChIKeyGAUKPZVLIPDMAA-UHFFFAOYSA-N
XLogP3.55
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129291927
2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,3,8-triol
CID 129291858
4-[1-[2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]butyl]-6-[(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139708055
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
6-(4-hydroxyphenyl)naphthalen-1-ol
CID 10308021
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
4,5-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;5,7-bis[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;2,4,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol;2,5,7-tris[(4-hydroxyphenyl)methyl]naphthalene-1,6-diol
CID 161148036
2,4-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;2,8-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4,6-bis[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol;4-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol
CID 158111333
9-benzylpyren-1-ol
CID 177414953
2-(anthracen-1-ylmethyl)benzene-1,4-diol
CID 174668880
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925896

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol?
The IUPAC name of 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol (CID 129291923) is 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol?
The canonical SMILES for 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol is Oc1ccc(Cc2cc3cccc(O)c3cc2O)cc1.
What is the InChIKey of 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol?
The InChIKey is GAUKPZVLIPDMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-14-6-4-11(5-7-14)8-13-9-12-2-1-3-16(19)15(12)10-17(13)20/h1-7,9-10,18-20H,8H2.
What are the key properties of 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol?
6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol has a molecular weight of 266.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methyl]naphthalene-1,7-diol is sourced from PubChem (CID 129291923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).