3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol

C20H20O3 — CID 152928939

IUPAC3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol
SMILESCC(Cc1ccc(O)cc1)Cc1cc(O)c2ccc(O)cc2c1
InChIInChI=1S/C20H20O3/c1-13(8-14-2-4-17(21)5-3-14)9-15-10-16-12-18(22)6-7-19(16)20(23)11-15/h2-7,10-13,21-23H,8-9H2,1H3
InChIKeyUKONMMQNGKUWKP-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.38
Rot. Bonds4

About 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol

3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol (PubChem CID 152928939) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol
PubChem CID152928939
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol
SMILESCC(Cc1ccc(O)cc1)Cc1cc(O)c2ccc(O)cc2c1
InChIInChI=1S/C20H20O3/c1-13(8-14-2-4-17(21)5-3-14)9-15-10-16-12-18(22)6-7-19(16)20(23)11-15/h2-7,10-13,21-23H,8-9H2,1H3
InChIKeyUKONMMQNGKUWKP-UHFFFAOYSA-N
XLogP4.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
6-(2-hydroxypropyl)naphthalen-2-ol
CID 19933724
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
1-(6-hydroxynaphthalen-2-yl)butane-2,3-diol
CID 118753585
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
4-(2,6,8-trimethylnonyl)phenol
CID 155208815
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
3-(4-hydroxyphenyl)-2-methylpropane-1-sulfonyl chloride
CID 115046426

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol?
The IUPAC name of 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol (CID 152928939) is 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol is CC(Cc1ccc(O)cc1)Cc1cc(O)c2ccc(O)cc2c1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol?
The InChIKey is UKONMMQNGKUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13(8-14-2-4-17(21)5-3-14)9-15-10-16-12-18(22)6-7-19(16)20(23)11-15/h2-7,10-13,21-23H,8-9H2,1H3.
What are the key properties of 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol?
3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol has a molecular weight of 308.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)-2-methylpropyl]naphthalene-1,6-diol is sourced from PubChem (CID 152928939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).