(9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol

C12H12O — CID 124707985

IUPAC(9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol
SMILESC=C1C=Cc2ccccc2[C@@H](O)C1
InChIInChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-7,12-13H,1,8H2/t12-/m0/s1
InChIKeyNRGWIJBBDFBJIT-LBPRGKRZSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds

About (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol

(9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol (PubChem CID 124707985) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol.

Molecular Properties

Compound Name(9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol
PubChem CID124707985
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol
SMILESC=C1C=Cc2ccccc2[C@@H](O)C1
InChIInChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-7,12-13H,1,8H2/t12-/m0/s1
InChIKeyNRGWIJBBDFBJIT-LBPRGKRZSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-chlorophenol;1,2-dihydronaphthalen-1-ol
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(1R)-1,2-dihydronaphthalen-1-ol;4-methylphenol
CID 142060836
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
hydron;1H-inden-1-ol
CID 174812636
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
1H-isochromen-1-ol
CID 69025900
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1S)-3-prop-1-enoxy-1,2-dihydronaphthalen-1-ol
CID 69219656
ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
CID 156719082
(2R)-1,2-dihydronaphthalen-2-ol
CID 12963098
1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 70608747

Frequently Asked Questions

What is the IUPAC name of (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol?
The IUPAC name of (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol (CID 124707985) is (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol.
What is the SMILES notation for (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol?
The canonical SMILES for (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol is C=C1C=Cc2ccccc2[C@@H](O)C1.
What is the InChIKey of (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol?
The InChIKey is NRGWIJBBDFBJIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12O/c1-9-6-7-10-4-2-3-5-11(10)12(13)8-9/h2-7,12-13H,1,8H2/t12-/m0/s1.
What are the key properties of (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol?
(9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol has a molecular weight of 172.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-7-methylidene-8,9-dihydrobenzo[7]annulen-9-ol is sourced from PubChem (CID 124707985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).