4-butoxy-2-chloronaphthalen-1-ol

C14H15ClO2 — CID 121473081

IUPAC4-butoxy-2-chloronaphthalen-1-ol
SMILESCCCCOc1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C14H15ClO2/c1-2-3-8-17-13-9-12(15)14(16)11-7-5-4-6-10(11)13/h4-7,9,16H,2-3,8H2,1H3
InChIKeyDWXYEWCQVDBVEO-UHFFFAOYSA-N
MW250.72 g/mol
LogP4.38
Rot. Bonds4

About 4-butoxy-2-chloronaphthalen-1-ol

4-butoxy-2-chloronaphthalen-1-ol (PubChem CID 121473081) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 4-butoxy-2-chloronaphthalen-1-ol.

Molecular Properties

Compound Name4-butoxy-2-chloronaphthalen-1-ol
PubChem CID121473081
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name4-butoxy-2-chloronaphthalen-1-ol
SMILESCCCCOc1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C14H15ClO2/c1-2-3-8-17-13-9-12(15)14(16)11-7-5-4-6-10(11)13/h4-7,9,16H,2-3,8H2,1H3
InChIKeyDWXYEWCQVDBVEO-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 54.38
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

2-chloro-4-ethoxynaphthalen-1-ol
CID 121473034
4-butoxy-2-phenoxynaphthalen-1-ol
CID 121473059
2-chloro-4-(3-chloro-4-hydroxynaphthalen-1-yl)oxynaphthalen-1-ol
CID 21256239
1,4-dibutoxynaphthalene
CID 22016411
3,4-dihexoxynaphthalen-1-ol
CID 19873008
1,4-didodecoxynaphthalene
CID 21304164
1,4-dibutoxynaphthalene-2-carbonitrile
CID 102193876
4-butoxy-3,5-dichlorophenol
CID 91234331
1-butoxynaphthalene
CID 13262700
5-pentoxynaphthalen-1-ol
CID 67823980
1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
CID 22382209
4-butoxy-2-(chloromethyl)quinoline
CID 63375315

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-chloronaphthalen-1-ol?
The IUPAC name of 4-butoxy-2-chloronaphthalen-1-ol (CID 121473081) is 4-butoxy-2-chloronaphthalen-1-ol.
What is the SMILES notation for 4-butoxy-2-chloronaphthalen-1-ol?
The canonical SMILES for 4-butoxy-2-chloronaphthalen-1-ol is CCCCOc1cc(Cl)c(O)c2ccccc12.
What is the InChIKey of 4-butoxy-2-chloronaphthalen-1-ol?
The InChIKey is DWXYEWCQVDBVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-2-3-8-17-13-9-12(15)14(16)11-7-5-4-6-10(11)13/h4-7,9,16H,2-3,8H2,1H3.
What are the key properties of 4-butoxy-2-chloronaphthalen-1-ol?
4-butoxy-2-chloronaphthalen-1-ol has a molecular weight of 250.72 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-chloronaphthalen-1-ol is sourced from PubChem (CID 121473081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).