(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol

C13H16O — CID 102513360

IUPAC(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol
SMILESC[C@H](O)CC1=CCCc2ccccc21
InChIInChI=1S/C13H16O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,7-8,10,14H,4,6,9H2,1H3/t10-/m0/s1
InChIKeyVYTWCOYIKLZNSQ-JTQLQIEISA-N
MW188.27 g/mol
LogP2.79
Rot. Bonds2

About (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol

(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol (PubChem CID 102513360) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol
PubChem CID102513360
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol
SMILESC[C@H](O)CC1=CCCc2ccccc21
InChIInChI=1S/C13H16O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,7-8,10,14H,4,6,9H2,1H3/t10-/m0/s1
InChIKeyVYTWCOYIKLZNSQ-JTQLQIEISA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydronaphthalen-1-ylmethanamine;ethane
CID 91513881
4-(fluoromethyl)-1,2-dihydronaphthalene
CID 70203270
4-[[1-carboxy-2-(3,4-dihydronaphthalen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 123432143
3,4-dihydronaphthalen-1-ylmethanesulfinate
CID 174984520
(3R)-N-[2-[[(2S)-1-amino-3-(3,4-dihydronaphthalen-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-formamido-3-hydroxybutanamide
CID 163744590
bis(3,4-dihydronaphthalen-1-yl)methanone
CID 174839163
3-(2-bromopropyl)-1H-indene
CID 23559641
5-(2-hydroxypropyl)-2,3-dihydropyran-6-one
CID 174851296
ethane;4-methyl-1,2-dihydronaphthalene
CID 91604572
N-[2-(3,4-dihydronaphthalen-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11811529
4-ethyl-5-(2-methylpropyl)-1,2-dihydronaphthalene
CID 144809018
2-(3,4-dihydronaphthalen-1-yl)butan-1-ol
CID 101148669

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol (CID 102513360) is (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol is C[C@H](O)CC1=CCCc2ccccc21.
What is the InChIKey of (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol?
The InChIKey is VYTWCOYIKLZNSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16O/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-3,5,7-8,10,14H,4,6,9H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol?
(2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dihydronaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 102513360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).