4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol

C15H14O2 — CID 54995677

IUPAC4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
SMILESCOc1ccc2cc(C#CCCO)ccc2c1
InChIInChI=1S/C15H14O2/c1-17-15-8-7-13-10-12(4-2-3-9-16)5-6-14(13)11-15/h5-8,10-11,16H,3,9H2,1H3
InChIKeyKRYWCSWTTFHJNM-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.58
Rot. Bonds2

About 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol

4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol (PubChem CID 54995677) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
PubChem CID54995677
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
SMILESCOc1ccc2cc(C#CCCO)ccc2c1
InChIInChI=1S/C15H14O2/c1-17-15-8-7-13-10-12(4-2-3-9-16)5-6-14(13)11-15/h5-8,10-11,16H,3,9H2,1H3
InChIKeyKRYWCSWTTFHJNM-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
methyl 5-(6-methoxynaphthalen-2-yl)pent-4-ynoate
CID 102479006
4-[6-(3-fluoropropoxy)naphthalen-2-yl]but-3-yn-1-ol
CID 81113064
5-(3-methoxyphenyl)pent-4-yn-1-ol
CID 112554273
4-(2,4,6-trimethoxyphenyl)but-3-yn-1-ol
CID 54923371
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
6-pent-1-ynylnaphthalen-2-ol
CID 123520256
4-[2-[(dimethylamino)methyl]-4-methoxyphenyl]but-3-yn-1-ol
CID 65322572
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890
methyl N-[5-(4-hydroxybut-1-ynyl)-2-methoxyphenyl]carbamate
CID 54966436
4-(4-methoxy-3,5-dimethylphenyl)but-3-yn-1-ol
CID 83057077
1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol (CID 54995677) is 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol is COc1ccc2cc(C#CCCO)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol?
The InChIKey is KRYWCSWTTFHJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-17-15-8-7-13-10-12(4-2-3-9-16)5-6-14(13)11-15/h5-8,10-11,16H,3,9H2,1H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol?
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol has a molecular weight of 226.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol is sourced from PubChem (CID 54995677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).