2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol

C20H22O2 — CID 59052123

IUPAC2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol
SMILESOc1cccc2c(C3(O)C4CC5CC(C4)CC3C5)cccc12
InChIInChI=1S/C20H22O2/c21-19-6-2-3-16-17(19)4-1-5-18(16)20(22)14-8-12-7-13(10-14)11-15(20)9-12/h1-6,12-15,21-22H,7-11H2
InChIKeyRCNAULHYBYRIMM-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.19
Rot. Bonds1

About 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol

2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol (PubChem CID 59052123) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol.

Molecular Properties

Compound Name2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol
PubChem CID59052123
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol
SMILESOc1cccc2c(C3(O)C4CC5CC(C4)CC3C5)cccc12
InChIInChI=1S/C20H22O2/c21-19-6-2-3-16-17(19)4-1-5-18(16)20(22)14-8-12-7-13(10-14)11-15(20)9-12/h1-6,12-15,21-22H,7-11H2
InChIKeyRCNAULHYBYRIMM-UHFFFAOYSA-N
XLogP4.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)adamantan-2-ol
CID 14198294
2-(1-adamantyl)benzene-1,3-diol
CID 22754692
2-(2-methoxy-2-adamantyl)phenol
CID 44623365
2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol
CID 168834694
2-[4-(3-hydroxyphenyl)phenyl]adamantan-2-ol
CID 56957568
2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
CID 170085474
5-[9-(5-hydroxynaphthalen-1-yl)-10H-anthracen-9-yl]naphthalen-1-ol
CID 150168227
1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
CID 105465875
2-naphthalen-1-yl-2-phenyladamantane
CID 162698485
2,6-bis(1-adamantyl)phenol
CID 14169592
2-(4-ethenylphenyl)adamantan-2-ol
CID 118052026
2-(4-ethenylphenyl)adamantan-2-ol;methane
CID 159927256

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol?
The IUPAC name of 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol (CID 59052123) is 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol.
What is the SMILES notation for 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol?
The canonical SMILES for 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol is Oc1cccc2c(C3(O)C4CC5CC(C4)CC3C5)cccc12.
What is the InChIKey of 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol?
The InChIKey is RCNAULHYBYRIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-19-6-2-3-16-17(19)4-1-5-18(16)20(22)14-8-12-7-13(10-14)11-15(20)9-12/h1-6,12-15,21-22H,7-11H2.
What are the key properties of 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol?
2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol is sourced from PubChem (CID 59052123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).