1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol

C27H20O2 — CID 11431460

IUPAC1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H20O2/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19/h1-17,28H,18H2
InChIKeyWLKLZUQBHZFLMA-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.94
Rot. Bonds4

About 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol

1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 11431460) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID11431460
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C27H20O2/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19/h1-17,28H,18H2
InChIKeyWLKLZUQBHZFLMA-UHFFFAOYSA-N
XLogP6.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Methylenebis(2-naphthalenol)
CID 14187
Riccardin D
CID 11510446
Benzyl 2-naphthyl ether
CID 123080
3-Hydroxybenzo(a)pyrene
CID 25890
Binol
CID 11762
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
CJ-12,371
CID 487653
Benzo(kl)xanthene
CID 67456
Cirrhopetalanthin
CID 9982511
Gymconopin C
CID 11465808
1-((4-Hydroxyphenyl)methyl)-4-methoxyphenanthrene-2,7-diol
CID 14630664
11-Hydroxybenzo(a)pyrene
CID 42029

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol (CID 11431460) is 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is WLKLZUQBHZFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O2/c28-24-16-14-20-10-4-6-12-22(20)26(24)27-23-13-7-5-11-21(23)15-17-25(27)29-18-19-8-2-1-3-9-19/h1-17,28H,18H2.
What are the key properties of 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol?
1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 376.46 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 11431460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).