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

C25H24O2 — CID 58560218

IUPAC1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
SMILESCCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C25H24O2/c1-2-3-8-17-27-23-16-14-19-10-5-7-12-21(19)25(23)24-20-11-6-4-9-18(20)13-15-22(24)26/h4-7,9-16,26H,2-3,8,17H2,1H3
InChIKeyKABOFGCVXPMXIA-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.93
Rot. Bonds6

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

1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 58560218) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID58560218
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
SMILESCCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C25H24O2/c1-2-3-8-17-27-23-16-14-19-10-5-7-12-21(19)25(23)24-20-11-6-4-9-18(20)13-15-22(24)26/h4-7,9-16,26H,2-3,8,17H2,1H3
InChIKeyKABOFGCVXPMXIA-UHFFFAOYSA-N
XLogP6.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
3-(2,5-dihexoxyphenyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 100970087
6-(2,5-dihexoxyphenyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 100970086
4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutyl prop-2-enoate
CID 22913120
4-[4-[11-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyundecoxy]phenyl]benzonitrile
CID 53496140
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
3-ethenyl-2-pentoxy-1-(2-pentoxynaphthalen-1-yl)naphthalene
CID 122395974
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] (2S)-2-bromohexadecanoate
CID 11467547
1-bromo-2-nonoxynaphthalene
CID 63529773
1,4-didodecoxynaphthalene
CID 21304164

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol (CID 58560218) is 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol is CCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is KABOFGCVXPMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-2-3-8-17-27-23-16-14-19-10-5-7-12-21(19)25(23)24-20-11-6-4-9-18(20)13-15-22(24)26/h4-7,9-16,26H,2-3,8,17H2,1H3.
What are the key properties of 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol?
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 356.47 g/mol, XLogP of 6.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 58560218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).