4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]

C15H19ClO — CID 115420397

IUPAC4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]
SMILESCC1CCC2(CC(Cl)CCO2)c2ccccc21
InChIInChI=1S/C15H19ClO/c1-11-6-8-15(10-12(16)7-9-17-15)14-5-3-2-4-13(11)14/h2-5,11-12H,6-10H2,1H3
InChIKeyDKGZTHWBMCOBBX-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.20
Rot. Bonds

About 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]

4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane] (PubChem CID 115420397) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane].

Molecular Properties

Compound Name4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]
PubChem CID115420397
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]
SMILESCC1CCC2(CC(Cl)CCO2)c2ccccc21
InChIInChI=1S/C15H19ClO/c1-11-6-8-15(10-12(16)7-9-17-15)14-5-3-2-4-13(11)14/h2-5,11-12H,6-10H2,1H3
InChIKeyDKGZTHWBMCOBBX-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-morpholine]
CID 115420704
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-methoxy-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 116769560
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(4-methyl-1-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 115418582
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
1',5-dimethylspiro[1,3-thiazinane-2,4'-2,3-dihydro-1H-naphthalene]
CID 115420203
(1R,4S)-N,4-dimethyl-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 143660147
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-anilino-4-methyl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 115418746
1-[(2,5-dichlorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419671

Frequently Asked Questions

What is the IUPAC name of 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]?
The IUPAC name of 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane] (CID 115420397) is 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane].
What is the SMILES notation for 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]?
The canonical SMILES for 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane] is CC1CCC2(CC(Cl)CCO2)c2ccccc21.
What is the InChIKey of 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]?
The InChIKey is DKGZTHWBMCOBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-11-6-8-15(10-12(16)7-9-17-15)14-5-3-2-4-13(11)14/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane]?
4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane] has a molecular weight of 250.77 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-chloro-1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxane] is sourced from PubChem (CID 115420397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).