4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol

C17H14O3 — CID 129291927

IUPAC4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
SMILESOc1ccc(Cc2ccc(O)c3c(O)cccc23)cc1
InChIInChI=1S/C17H14O3/c18-13-7-4-11(5-8-13)10-12-6-9-16(20)17-14(12)2-1-3-15(17)19/h1-9,18-20H,10H2
InChIKeyNREIGPKBFATWTH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.55
Rot. Bonds2

About 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol

4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol (PubChem CID 129291927) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
PubChem CID129291927
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
SMILESOc1ccc(Cc2ccc(O)c3c(O)cccc23)cc1
InChIInChI=1S/C17H14O3/c18-13-7-4-11(5-8-13)10-12-6-9-16(20)17-14(12)2-1-3-15(17)19/h1-9,18-20H,10H2
InChIKeyNREIGPKBFATWTH-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?
The IUPAC name of 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol (CID 129291927) is 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol is Oc1ccc(Cc2ccc(O)c3c(O)cccc23)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?
The InChIKey is NREIGPKBFATWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-13-7-4-11(5-8-13)10-12-6-9-16(20)17-14(12)2-1-3-15(17)19/h1-9,18-20H,10H2.
What are the key properties of 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol?
4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-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 4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol is sourced from PubChem (CID 129291927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).