(1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol

C19H24O2 — CID 102389934

IUPAC(1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol
SMILESCOc1cc(C)cc2c1C=C(O)[C@]1(C)CC[C@H](C3CC3)[C@H]21
InChIInChI=1S/C19H24O2/c1-11-8-15-14(16(9-11)21-3)10-17(20)19(2)7-6-13(18(15)19)12-4-5-12/h8-10,12-13,18,20H,4-7H2,1-3H3/t13-,18-,19+/m1/s1
InChIKeyBSQRKFKBZWZSGQ-ZNOIYHFQSA-N
MW284.40 g/mol
LogP4.83
Rot. Bonds2

About (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol

(1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol (PubChem CID 102389934) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol.

Molecular Properties

Compound Name(1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol
PubChem CID102389934
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol
SMILESCOc1cc(C)cc2c1C=C(O)[C@]1(C)CC[C@H](C3CC3)[C@H]21
InChIInChI=1S/C19H24O2/c1-11-8-15-14(16(9-11)21-3)10-17(20)19(2)7-6-13(18(15)19)12-4-5-12/h8-10,12-13,18,20H,4-7H2,1-3H3/t13-,18-,19+/m1/s1
InChIKeyBSQRKFKBZWZSGQ-ZNOIYHFQSA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol?
The IUPAC name of (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol (CID 102389934) is (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol.
What is the SMILES notation for (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol?
The canonical SMILES for (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol is COc1cc(C)cc2c1C=C(O)[C@]1(C)CC[C@H](C3CC3)[C@H]21.
What is the InChIKey of (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol?
The InChIKey is BSQRKFKBZWZSGQ-ZNOIYHFQSA-N. The full InChI is InChI=1S/C19H24O2/c1-11-8-15-14(16(9-11)21-3)10-17(20)19(2)7-6-13(18(15)19)12-4-5-12/h8-10,12-13,18,20H,4-7H2,1-3H3/t13-,18-,19+/m1/s1.
What are the key properties of (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol?
(1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol has a molecular weight of 284.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,9bR)-1-cyclopropyl-6-methoxy-3a,8-dimethyl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalen-4-ol is sourced from PubChem (CID 102389934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).