ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol

C20H26O — CID 143787682

IUPACethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
SMILESCC.CC1(c2ccc(O)cc2)CCCc2ccccc2C1
InChIInChI=1S/C18H20O.C2H6/c1-18(16-8-10-17(19)11-9-16)12-4-7-14-5-2-3-6-15(14)13-18;1-2/h2-3,5-6,8-11,19H,4,7,12-13H2,1H3;1-2H3
InChIKeyNJLXOVJBXGXBHW-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.26
Rot. Bonds1

About ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol

ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol (PubChem CID 143787682) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol.

Molecular Properties

Compound Nameethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
PubChem CID143787682
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Nameethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol
SMILESCC.CC1(c2ccc(O)cc2)CCCc2ccccc2C1
InChIInChI=1S/C18H20O.C2H6/c1-18(16-8-10-17(19)11-9-16)12-4-7-14-5-2-3-6-15(14)13-18;1-2/h2-3,5-6,8-11,19H,4,7,12-13H2,1H3;1-2H3
InChIKeyNJLXOVJBXGXBHW-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl) 2-methylprop-2-enoate
CID 89397792
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
methane;(1-methylcyclopentyl)benzene
CID 143499824
2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
CID 138040145
spiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dihydro-1H-naphthalene]
CID 56653224
spiro[1,3-dihydroindene-2,6'-7,8-dihydro-5H-naphthalene]-2'-ol
CID 91293729
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
1,2,3,4-tetrahydronaphthalene
CID 174531863
2-(4-hydroxyphenyl)-3,4-dihydrochromen-2-ol
CID 174539962
4-(4-hydroxyphenyl)-4-methyloxolan-2-one
CID 105445803

Frequently Asked Questions

What is the IUPAC name of ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol?
The IUPAC name of ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol (CID 143787682) is ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol.
What is the SMILES notation for ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol?
The canonical SMILES for ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol is CC.CC1(c2ccc(O)cc2)CCCc2ccccc2C1.
What is the InChIKey of ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol?
The InChIKey is NJLXOVJBXGXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O.C2H6/c1-18(16-8-10-17(19)11-9-16)12-4-7-14-5-2-3-6-15(14)13-18;1-2/h2-3,5-6,8-11,19H,4,7,12-13H2,1H3;1-2H3.
What are the key properties of ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol?
ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol has a molecular weight of 282.43 g/mol, XLogP of 5.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl)phenol is sourced from PubChem (CID 143787682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).